 Entering Gaussian System, Link 0=g16
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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                  8.279540D+00          -1.036900D-01
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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            S    20   1.00
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                  1.349768D+05          -8.570592D-06
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                  1.340980D-01           2.865866D-01
                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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                  1.340980D-01           1.971989D+00
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            S    1   1.00
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            ****
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                  1.409320D+00           3.573010D-01
                  5.488580D-01           2.645780D-01
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            D    8   1.00
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
                  1.983350D+05          -2.197572D-05
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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                  1.331400D+00          -1.187120D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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                  4.474270D+03          -6.208000D-04
                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
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                  1.750446D+00           2.750453D-01
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                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
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            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.2267020              0.3908730
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            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
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            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
                  0.0348540              1.0000000
            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
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            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
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            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
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                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
                  7.1390600              0.0546710
                  1.8300700             -0.1661610
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            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/scratch/9104166/Gau-3346.inp" -scrdir="/scratch/9104166/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      3375.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Jan-2022 
 ******************************************
 %rwf=29_neopentane_conformer07_LCPBE_augccpVDZ
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=29_neopentane_conformer07_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Tight) 
 Polar=ROA Guess=Read CPHF=RdFreq IOp(1/33=1,3/107=0300000000,3/108=030
 0000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1)
 ----------------------------------------------------------------------
 1/33=1,38=1,83=21,172=1/1;
 2/12=2,17=6,18=5,40=1/2;
 3/5=7,11=2,25=1,30=1,36=2,74=1001009,75=-5,107=300000000,108=300000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jan 27 11:50:28 2022, MaxMem=  5368709120 cpu:               0.3 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 1
 C                    -0.00002   0.00003  -0.00004 
 C                     1.15502   0.32368  -0.95514 
 C                    -0.98677  -0.94679  -0.69353 
 C                    -0.7217    1.2963    0.38711 
 C                     0.55346  -0.67319   1.26155 
 H                     0.78831   0.80512  -1.86467 
 H(Iso=2)              1.68779  -0.58415  -1.24761 
 H                     1.87461   0.99823  -0.48536 
 H(Iso=2)             -1.39696  -0.49152  -1.59796 
 H(Iso=2)             -1.82196  -1.19399  -0.03408 
 H(Iso=2)             -0.498    -1.88082  -0.98025 
 H                    -1.12694   1.79763  -0.49491 
 H                    -0.0404    1.99071   0.88422 
 H                    -1.55113   1.09438   1.06887 
 H                     1.07404  -1.60128   1.01424 
 H(Iso=2)             -0.24997  -0.91551   1.96107 
 H(Iso=2)              1.26069  -0.01899   1.77668 
 
 RdStrC is calling ZToCFu for IStruc=1 NZ=    17.
 PrtBox:  NBox=     1 Levels=  1 BoxLen=    8.00 SMaxX=        7.32
          Shift=            3.443005            3.554229            3.523719
 Box      1 Number                   0 centers from      1 to     17:
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     17 NQM=       17 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12           1           2           1           2           2
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   2.0141018   1.0078250   2.0141018   2.0141018
 NucSpn=           0           0           0           0           0           1           2           1           2           2
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.2860000   0.0000000   0.2860000   0.2860000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.8574380   2.7928460   0.8574380   0.8574380
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17
 IAtWgt=           2           1           1           1           1           2           2
 AtmWgt=   2.0141018   1.0078250   1.0078250   1.0078250   1.0078250   2.0141018   2.0141018
 NucSpn=           2           1           1           1           1           2           2
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.2860000   0.0000000   0.0000000   0.0000000   0.0000000   0.2860000   0.2860000
 NMagM=    0.8574380   2.7928460   2.7928460   2.7928460   2.7928460   0.8574380   0.8574380
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jan 27 11:50:28 2022, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.000018    0.000032   -0.000037
      2          6           0        1.155022    0.323679   -0.955136
      3          6           0       -0.986772   -0.946789   -0.693528
      4          6           0       -0.721704    1.296298    0.387111
      5          6           0        0.553456   -0.673191    1.261549
      6          1           0        0.788307    0.805116   -1.864672
      7          1           0        1.687788   -0.584146   -1.247607
      8          1           0        1.874611    0.998230   -0.485358
      9          1           0       -1.396955   -0.491517   -1.597957
     10          1           0       -1.821960   -1.193991   -0.034081
     11          1           0       -0.497996   -1.880817   -0.980249
     12          1           0       -1.126942    1.797626   -0.494914
     13          1           0       -0.040399    1.990713    0.884223
     14          1           0       -1.551128    1.094379    1.068868
     15          1           0        1.074043   -1.601281    1.014241
     16          1           0       -0.249965   -0.915510    1.961070
     17          1           0        1.260692   -0.018986    1.776681
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.533323   0.000000
     3  C    1.533324   2.503959   0.000000
     4  C    1.533304   2.503940   2.503893   0.000000
     5  C    1.533350   2.503862   2.503894   2.503909   0.000000
     6  H    2.178642   1.092482   2.755296   2.755344   3.466094
     7  H    2.178620   1.092486   2.755319   3.466125   2.755087
     8  H    2.178571   1.092483   3.466114   2.755158   2.755138
     9  H    2.178624   2.755059   1.092481   2.755493   3.466105
    10  H    2.178606   3.466134   1.092483   2.754906   2.755447
    11  H    2.178621   2.755522   1.092483   3.466090   2.754917
    12  H    2.178579   2.755301   2.755160   1.092481   3.466098
    13  H    2.178614   2.755227   3.466098   1.092478   2.755254
    14  H    2.178554   3.466096   2.755160   1.092478   2.755123
    15  H    2.178662   2.755082   2.755321   3.466116   1.092485
    16  H    2.178677   3.466098   2.755132   2.755355   1.092490
    17  H    2.178641   2.755251   3.466099   2.755135   1.092487
                    6          7          8          9         10
     6  H    0.000000
     7  H    1.766319   0.000000
     8  H    1.766312   1.766307   0.000000
     9  H    2.554949   3.105956   3.763026   0.000000
    10  H    3.763109   3.763361   4.321356   1.766298   0.000000
    11  H    3.106608   2.555482   3.763388   1.766308   1.766308
    12  H    2.555287   3.763255   3.106195   2.555345   3.105671
    13  H    3.106255   3.763141   2.555003   3.763367   3.762922
    14  H    3.763281   4.321352   3.763051   3.106572   2.554698
    15  H    3.763048   2.554839   3.105988   3.763109   3.106718
    16  H    4.321442   3.763017   3.763141   3.763247   2.555259
    17  H    3.763209   3.106145   2.555082   4.321407   3.763275
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.763252   0.000000
    13  H    4.321388   1.766317   0.000000
    14  H    3.762945   1.766325   1.766299   0.000000
    15  H    2.554885   4.321395   3.763151   3.763122   0.000000
    16  H    3.105591   3.763250   3.106388   2.555133   1.766285
    17  H    3.762986   3.763113   2.555036   3.105948   1.766298
                   16         17
    16  H    0.000000
    17  H    1.766307   0.000000
 Stoichiometry    C5H12
 Framework group  C1[X(C5H12)]
 Deg. of freedom    45
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.000018    0.000032   -0.000037
      2          6           0        1.157465    0.323628   -0.952192
      3          6           0       -0.987432   -0.943042   -0.697682
      4          6           0       -0.719745    1.296836    0.388951
      5          6           0        0.549714   -0.677425    1.260918
      6          1           0        0.793439    0.808051   -1.861223
      7          1           0        1.688898   -0.584578   -1.245901
      8          1           0        1.877569    0.995535   -0.479424
      9          1           0       -1.394989   -0.484706   -1.601750
     10          1           0       -1.824355   -1.190130   -0.040396
     11          1           0       -0.500053   -1.877374   -0.985787
     12          1           0       -1.122304    1.801163   -0.492591
     13          1           0       -0.037934    1.988619    0.889031
     14          1           0       -1.550852    1.094964    1.068669
     15          1           0        1.068843   -1.605982    1.012300
     16          1           0       -0.255507   -0.919795    1.958349
     17          1           0        1.257339   -0.025950    1.778967
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.9792471           3.8053768           3.6804336
 Leave Link  202 at Thu Jan 27 11:50:28 2022, MaxMem=  5368709120 cpu:               0.0 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       6      7      8      9     10     11     12     13     14     15
 Centers:      16     17
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  15 primitive shells out of 236 were deleted.
 There are   233 symmetry adapted cartesian basis functions of A   symmetry.
 There are   223 symmetry adapted basis functions of A   symmetry.
   223 basis functions,   379 primitive gaussians,   233 cartesian basis functions
    21 alpha electrons       21 beta electrons
       nuclear repulsion energy       198.5943013625 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.300000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.300000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   17 NActive=   17 NUniq=   17 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Jan 27 11:50:29 2022, MaxMem=  5368709120 cpu:               6.1 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   223 RedAO= T EigKep=  1.12D-05  NBF=   223
 NBsUse=   223 1.00D-06 EigRej= -1.00D+00 NBFU=   223
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   233   233   233   233   233 MxSgAt=    17 MxSgA2=    17.
 Leave Link  302 at Thu Jan 27 11:50:29 2022, MaxMem=  5368709120 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jan 27 11:50:29 2022, MaxMem=  5368709120 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "29_neopentane_conformer07_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jan 27 11:50:29 2022, MaxMem=  5368709120 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368596253 LenY=  5368541523
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -197.071720640533    
 DIIS: error= 6.30D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -197.071720640533     IErMin= 1 ErrMin= 6.30D-03
 ErrMax= 6.30D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.89D-03 BMatP= 5.89D-03
 IDIUse=3 WtCom= 9.37D-01 WtEn= 6.30D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.507 Goal=   None    Shift=    0.000
 GapD=    0.507 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.25D-02 MaxDP=1.91D+00              OVMax= 1.33D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.13D-02    CP:  1.20D+00
 E= -197.078257912268     Delta-E=       -0.006537271735 Rises=F Damp=F
 DIIS: error= 1.42D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -197.078257912268     IErMin= 2 ErrMin= 1.42D-03
 ErrMax= 1.42D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.10D-04 BMatP= 5.89D-03
 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.42D-02
 Coeff-Com: -0.241D-01 0.102D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.238D-01 0.102D+01
 Gap=     0.437 Goal=   None    Shift=    0.000
 RMSDP=1.73D-03 MaxDP=2.36D-01 DE=-6.54D-03 OVMax= 4.90D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.28D-04    CP:  1.23D+00  1.12D+00
 E= -197.078455696359     Delta-E=       -0.000197784091 Rises=F Damp=F
 DIIS: error= 8.36D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -197.078455696359     IErMin= 3 ErrMin= 8.36D-04
 ErrMax= 8.36D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.94D-05 BMatP= 2.10D-04
 IDIUse=3 WtCom= 9.92D-01 WtEn= 8.36D-03
 Coeff-Com: -0.306D-01 0.400D+00 0.630D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.303D-01 0.397D+00 0.633D+00
 Gap=     0.442 Goal=   None    Shift=    0.000
 RMSDP=2.84D-04 MaxDP=3.68D-02 DE=-1.98D-04 OVMax= 2.18D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.08D-04    CP:  1.24D+00  1.14D+00  1.05D+00
 E= -197.078551588853     Delta-E=       -0.000095892494 Rises=F Damp=F
 DIIS: error= 1.94D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -197.078551588853     IErMin= 4 ErrMin= 1.94D-04
 ErrMax= 1.94D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.71D-06 BMatP= 8.94D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.94D-03
 Coeff-Com: -0.150D-02-0.528D-01 0.103D+00 0.952D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.150D-02-0.527D-01 0.103D+00 0.952D+00
 Gap=     0.441 Goal=   None    Shift=    0.000
 RMSDP=9.22D-05 MaxDP=8.98D-03 DE=-9.59D-05 OVMax= 5.70D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.37D-05    CP:  1.24D+00  1.14D+00  1.13D+00  1.11D+00
 E= -197.078556117575     Delta-E=       -0.000004528722 Rises=F Damp=F
 DIIS: error= 5.29D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -197.078556117575     IErMin= 5 ErrMin= 5.29D-05
 ErrMax= 5.29D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.32D-07 BMatP= 3.71D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.145D-02-0.435D-01 0.184D-02 0.326D+00 0.714D+00
 Coeff:      0.145D-02-0.435D-01 0.184D-02 0.326D+00 0.714D+00
 Gap=     0.441 Goal=   None    Shift=    0.000
 RMSDP=1.38D-05 MaxDP=6.62D-04 DE=-4.53D-06 OVMax= 1.19D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  8.16D-06    CP:  1.24D+00  1.14D+00  1.14D+00  1.12D+00  9.09D-01
 E= -197.078556430947     Delta-E=       -0.000000313372 Rises=F Damp=F
 DIIS: error= 8.84D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -197.078556430947     IErMin= 6 ErrMin= 8.84D-06
 ErrMax= 8.84D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.38D-08 BMatP= 3.32D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.465D-03-0.625D-02-0.590D-02 0.699D-02 0.179D+00 0.826D+00
 Coeff:      0.465D-03-0.625D-02-0.590D-02 0.699D-02 0.179D+00 0.826D+00
 Gap=     0.441 Goal=   None    Shift=    0.000
 RMSDP=3.86D-06 MaxDP=4.08D-04 DE=-3.13D-07 OVMax= 3.36D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.12D-06    CP:  1.24D+00  1.14D+00  1.14D+00  1.13D+00  9.53D-01
                    CP:  1.14D+00
 E= -197.078556448121     Delta-E=       -0.000000017173 Rises=F Damp=F
 DIIS: error= 9.54D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -197.078556448121     IErMin= 7 ErrMin= 9.54D-07
 ErrMax= 9.54D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.24D-10 BMatP= 1.38D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.856D-04 0.209D-02 0.392D-03-0.144D-01-0.449D-01-0.388D-01
 Coeff-Com:  0.110D+01
 Coeff:     -0.856D-04 0.209D-02 0.392D-03-0.144D-01-0.449D-01-0.388D-01
 Coeff:      0.110D+01
 Gap=     0.441 Goal=   None    Shift=    0.000
 RMSDP=1.49D-06 MaxDP=1.32D-04 DE=-1.72D-08 OVMax= 7.58D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  5.22D-07    CP:  1.24D+00  1.14D+00  1.14D+00  1.13D+00  9.58D-01
                    CP:  1.23D+00  1.24D+00
 E= -197.078556448656     Delta-E=       -0.000000000535 Rises=F Damp=F
 DIIS: error= 1.59D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -197.078556448656     IErMin= 8 ErrMin= 1.59D-07
 ErrMax= 1.59D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.44D-12 BMatP= 2.24D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.109D-04-0.336D-03-0.729D-05 0.281D-02 0.623D-02 0.387D-03
 Coeff-Com: -0.234D+00 0.123D+01
 Coeff:      0.109D-04-0.336D-03-0.729D-05 0.281D-02 0.623D-02 0.387D-03
 Coeff:     -0.234D+00 0.123D+01
 Gap=     0.441 Goal=   None    Shift=    0.000
 RMSDP=2.51D-07 MaxDP=1.73D-05 DE=-5.35D-10 OVMax= 1.46D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.42D-08    CP:  1.24D+00  1.14D+00  1.14D+00  1.13D+00  9.58D-01
                    CP:  1.25D+00  1.30D+00  1.26D+00
 E= -197.078556448669     Delta-E=       -0.000000000013 Rises=F Damp=F
 DIIS: error= 1.34D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -197.078556448669     IErMin= 9 ErrMin= 1.34D-08
 ErrMax= 1.34D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.77D-14 BMatP= 2.44D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.102D-05 0.368D-04 0.296D-05-0.347D-03-0.635D-03 0.519D-03
 Coeff-Com:  0.299D-01-0.231D+00 0.120D+01
 Coeff:     -0.102D-05 0.368D-04 0.296D-05-0.347D-03-0.635D-03 0.519D-03
 Coeff:      0.299D-01-0.231D+00 0.120D+01
 Gap=     0.441 Goal=   None    Shift=    0.000
 RMSDP=3.25D-08 MaxDP=2.23D-06 DE=-1.33D-11 OVMax= 1.60D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.38D-09    CP:  1.24D+00  1.14D+00  1.14D+00  1.13D+00  9.58D-01
                    CP:  1.25D+00  1.30D+00  1.29D+00  1.25D+00
 E= -197.078556448672     Delta-E=       -0.000000000003 Rises=F Damp=F
 DIIS: error= 1.39D-09 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -197.078556448672     IErMin=10 ErrMin= 1.39D-09
 ErrMax= 1.39D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.47D-16 BMatP= 2.77D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.572D-07-0.307D-05-0.135D-06 0.335D-04 0.405D-04-0.137D-03
 Coeff-Com: -0.261D-02 0.270D-01-0.205D+00 0.118D+01
 Coeff:      0.572D-07-0.307D-05-0.135D-06 0.335D-04 0.405D-04-0.137D-03
 Coeff:     -0.261D-02 0.270D-01-0.205D+00 0.118D+01
 Gap=     0.441 Goal=   None    Shift=    0.000
 RMSDP=2.41D-09 MaxDP=1.78D-07 DE=-2.96D-12 OVMax= 1.40D-08

 SCF Done:  E(RLC-PBE+HF-PBE) =  -197.078556449     A.U. after   10 cycles
            NFock= 10  Conv=0.24D-08     -V/T= 2.0061
 KE= 1.958810697485D+02 PE=-8.532831476733D+02 EE= 2.617292201136D+02
 Leave Link  502 at Thu Jan 27 11:51:07 2022, MaxMem=  5368709120 cpu:             301.2 elap:              37.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   223
 NBasis=   223 NAE=    21 NBE=    21 NFC=     0 NFV=     0
 NROrb=    223 NOA=    21 NOB=    21 NVA=   202 NVB=   202

 **** Warning!!: The largest alpha MO coefficient is  0.10738455D+03

 Leave Link  801 at Thu Jan 27 11:51:07 2022, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5270 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          17
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 7.07D-14 8.33D-09 XBig12= 1.00D+00 1.66D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 7.07D-14 8.33D-09 XBig12= 8.60D-02 6.79D-02.
     11 vectors produced by pass  2 Test12= 7.07D-14 8.33D-09 XBig12= 1.02D-02 2.19D-02.
     11 vectors produced by pass  3 Test12= 7.07D-14 8.33D-09 XBig12= 1.12D-03 9.99D-03.
     11 vectors produced by pass  4 Test12= 7.07D-14 8.33D-09 XBig12= 2.90D-05 1.60D-03.
     11 vectors produced by pass  5 Test12= 7.07D-14 8.33D-09 XBig12= 3.41D-07 1.55D-04.
     11 vectors produced by pass  6 Test12= 7.07D-14 8.33D-09 XBig12= 6.31D-09 2.22D-05.
     11 vectors produced by pass  7 Test12= 7.07D-14 8.33D-09 XBig12= 1.05D-10 2.45D-06.
     10 vectors produced by pass  8 Test12= 7.07D-14 8.33D-09 XBig12= 1.20D-12 1.84D-07.
      4 vectors produced by pass  9 Test12= 7.07D-14 8.33D-09 XBig12= 1.08D-14 1.54D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-14
 Solved reduced A of dimension   102 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.673033D+02
      2 -0.524968D-03  0.673025D+02
      3  0.269939D-03 -0.697373D-03  0.673028D+02
 Isotropic polarizability for W=    0.085645       67.30 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.353259D+00  0.153599D-01  0.126869D+01
      2   0.158669D+01 -0.986056D+00 -0.470643D+00
      3  -0.123343D+01  0.970696D+00 -0.798047D+00
      4   0.143349D-01  0.158748D+01  0.169492D+01
      5   0.127048D+01  0.169491D+01 -0.123040D+01
      6   0.169516D+01 -0.467693D+00  0.967963D+00
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.672934D-03  0.200253D-02 -0.200042D-02
      2  -0.259452D-02  0.406236D-03  0.214501D-02
      3   0.124994D-02 -0.412089D-03 -0.106426D-02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.236396D-05  0.295079D-02  0.273328D-02
      2  -0.179200D-02 -0.247694D-03  0.303086D-02
      3  -0.102501D-02 -0.793912D-03  0.250058D-03
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.329601D-03  0.292847D-03  0.401154D-03
      2   0.292847D-03 -0.257585D-03 -0.153610D-03
      3   0.401154D-03 -0.153610D-03  0.602100D-03
 OR G Eigenvalues:    -0.0007    -0.0000     0.0008  Iso=    -0.0000
 Eigenvectors:
   (1)   0.754983  -0.584038  -0.298161
   (2)   0.562965   0.810447  -0.162004
   (3)   0.336261  -0.045544   0.940667
 w=    0.085645 a.u., Optical Rotation Beta=     -0.0000 au.
 Molar Mass =     72.1498 grams/mole, [Alpha] ( 5320.0 A) =       -0.00 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   24976 ScalPx= 2.25D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   24976 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.84D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.18D-14 2.78D-09 XBig12= 1.00D+00 4.89D-01.
     30 vectors produced by pass  1 Test12= 1.18D-14 2.78D-09 XBig12= 6.37D-03 1.89D-02.
     30 vectors produced by pass  2 Test12= 1.18D-14 2.78D-09 XBig12= 8.34D-04 6.37D-03.
     30 vectors produced by pass  3 Test12= 1.18D-14 2.78D-09 XBig12= 1.00D-05 7.79D-04.
     30 vectors produced by pass  4 Test12= 1.18D-14 2.78D-09 XBig12= 2.85D-07 8.09D-05.
     30 vectors produced by pass  5 Test12= 1.18D-14 2.78D-09 XBig12= 4.66D-09 1.60D-05.
     30 vectors produced by pass  6 Test12= 1.18D-14 2.78D-09 XBig12= 1.44D-11 7.41D-07.
     23 vectors produced by pass  7 Test12= 1.18D-14 2.78D-09 XBig12= 7.33D-14 4.30D-08.
      4 vectors produced by pass  8 Test12= 1.18D-14 2.78D-09 XBig12= 4.90D-16 4.29D-09.
      1 vectors produced by pass  9 Test12= 1.18D-14 2.78D-09 XBig12= 1.13D-16 3.94D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.44D-15
 Solved reduced A of dimension   238 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   24976 ScalPx= 6.47D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   24976 ScalPx= 6.47D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   24976 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.58D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.673033D+02 -0.524968D-03  0.269939D-03
      2  -0.524968D-03  0.673025D+02 -0.697373D-03
      3   0.269939D-03 -0.697373D-03  0.673028D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.672934D-03  0.200253D-02 -0.200042D-02
      2  -0.259452D-02  0.406236D-03  0.214501D-02
      3   0.124994D-02 -0.412089D-03 -0.106426D-02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.353259D+00  0.153599D-01  0.126869D+01
      2   0.158669D+01 -0.986056D+00 -0.470643D+00
      3  -0.123343D+01  0.970696D+00 -0.798047D+00
      4   0.143349D-01  0.158748D+01  0.169492D+01
      5   0.127048D+01  0.169491D+01 -0.123040D+01
      6   0.169516D+01 -0.467693D+00  0.967963D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.102284D+01  0.531070D-01  0.369346D+01  0.543203D-01  0.461229D+01
      2   0.531070D-01  0.460947D+01  0.494206D+01  0.461229D+01 -0.286065D+01
      3   0.369346D+01  0.494206D+01 -0.358364D+01  0.494139D+01 -0.137760D+01
                 6             7             8             9            10 
      1   0.494139D+01  0.369438D+01  0.494300D+01 -0.358721D+01 -0.996058D+00
      2  -0.137760D+01  0.494300D+01 -0.137892D+01  0.281153D+01 -0.126139D+00
      3   0.281712D+01 -0.358721D+01  0.281153D+01 -0.231382D+01 -0.245852D+01
                11            12            13            14            15 
      1  -0.126139D+00 -0.245852D+01  0.106054D+00 -0.447692D+01 -0.383550D+01
      2  -0.363575D+01 -0.383630D+01 -0.447692D+01  0.141465D+01  0.189734D+01
      3  -0.383630D+01  0.289936D+01 -0.383550D+01  0.189734D+01 -0.200717D+01
                16            17            18            19            20 
      1  -0.315206D+01 -0.383725D+01  0.206389D+01  0.244575D+01  0.408566D+00
      2  -0.383725D+01  0.120733D+01 -0.224175D+01  0.408566D+00 -0.361208D+01
      3   0.206389D+01 -0.224175D+01  0.336637D+01 -0.239942D+01 -0.398519D+01
                21            22            23            24            25 
      1  -0.239942D+01 -0.275830D+00 -0.289606D+01 -0.398494D+01 -0.290380D+01
      2  -0.398519D+01 -0.289606D+01  0.377059D+01  0.137665D+01 -0.398466D+01
      3   0.264730D+01 -0.398494D+01  0.137665D+01 -0.207749D+01  0.336333D+01
                26            27            28            29            30 
      1  -0.398466D+01  0.336333D+01  0.215340D+01 -0.956658D+00 -0.300067D+01
      2   0.867878D+00 -0.139427D+01 -0.956658D+00 -0.385187D+01 -0.384031D+01
      3  -0.139427D+01  0.307952D+01 -0.300067D+01 -0.384031D+01  0.277469D+01
                31            32            33            34            35 
      1  -0.171298D-01 -0.333170D+01 -0.384082D+01 -0.271916D+01 -0.384186D+01
      2  -0.333170D+01  0.376428D+00  0.976488D+00 -0.384186D+01  0.126175D+01
      3  -0.384082D+01  0.976488D+00 -0.230506D+01  0.329756D+01 -0.324631D+01
                36            37            38            39            40 
      1   0.329756D+01 -0.373374D+00  0.520237D+00 -0.376430D+01  0.281904D-01
      2  -0.324631D+01  0.520237D+00 -0.341041D+01 -0.389660D+01 -0.381037D+01
      3   0.878833D+00 -0.376430D+01 -0.389660D+01  0.296269D+01 -0.389920D+01
                41            42            43            44            45 
      1  -0.381037D+01 -0.389920D+01 -0.284892D+01 -0.389834D+01  0.256510D+01
      2   0.344772D+01  0.855983D-01 -0.389834D+01  0.100029D+01 -0.197570D+01
      3   0.855983D-01 -0.247356D+01  0.256510D+01 -0.197570D+01 -0.395382D-01
                46            47            48            49            50 
      1  -0.700316D+00  0.434830D+00 -0.619715D+00  0.764126D+00  0.283444D+00
      2   0.434830D+00 -0.544078D+00  0.978292D+00  0.283444D+00  0.187261D+01
      3  -0.619715D+00  0.978292D+00 -0.215348D+01  0.337838D+00 -0.203672D+01
                51            52            53            54            55 
      1   0.337838D+00 -0.116600D+01  0.382944D+00 -0.293185D+00  0.324065D+01
      2  -0.203672D+01  0.382944D+00 -0.214239D+01  0.246929D+01 -0.173788D+01
      3   0.277664D+01 -0.293185D+00  0.246929D+01 -0.701093D+01 -0.102147D+01
                56            57            58            59            60 
      1  -0.173788D+01 -0.102147D+01 -0.328189D+01  0.272424D+01  0.171378D+01
      2   0.214108D+01  0.100999D+01  0.272424D+01 -0.443599D+01 -0.166854D+01
      3   0.100999D+01  0.938144D+00  0.171378D+01 -0.166854D+01 -0.198285D+01
                61            62            63            64            65 
      1  -0.748061D+00  0.943009D+00  0.920873D+00  0.497915D+01  0.232887D+01
      2   0.943009D+00 -0.113511D+01 -0.867959D+00  0.232887D+01  0.246344D+01
      3   0.920873D+00 -0.867959D+00 -0.175394D+01  0.787627D+00  0.696357D+00
                66            67            68            69            70 
      1   0.787627D+00  0.307498D+01  0.274027D+01  0.633995D+00  0.244993D+01
      2   0.696357D+00  0.274027D+01  0.308852D+01  0.342383D+00  0.136166D+01
      3   0.924973D+00  0.633995D+00  0.342383D+00  0.128193D+01  0.767551D+00
                71            72            73            74            75 
      1   0.136166D+01  0.767551D+00 -0.232943D+01  0.274703D+00 -0.159199D+01
      2   0.130250D+01  0.945767D+00  0.274703D+00 -0.338522D+00  0.624443D+00
      3   0.945767D+00  0.918785D+00 -0.159199D+01  0.624443D+00 -0.222950D+01
                76            77            78            79            80 
      1   0.134647D+01 -0.330733D+00  0.132338D+01 -0.224470D+01  0.552252D+00
      2  -0.330733D+00  0.836854D+00 -0.115342D+01  0.552252D+00 -0.154342D+01
      3   0.132338D+01 -0.115342D+01  0.233726D+01 -0.282907D+01  0.837459D+00
                81            82            83            84            85 
      1  -0.282907D+01 -0.609918D+01 -0.188056D+01  0.181604D+01 -0.122132D+01
      2   0.837459D+00 -0.188056D+01 -0.147887D+01  0.808933D+00 -0.105381D+01
      3  -0.635765D+01  0.181604D+01  0.808933D+00 -0.197693D+01  0.752651D+00
                86            87            88            89            90 
      1  -0.105381D+01  0.752651D+00  0.349330D+01  0.147810D+01 -0.197626D+01
      2  -0.156779D+01  0.433845D+00  0.147810D+01  0.141281D+01 -0.590064D+00
      3   0.433845D+00 -0.347287D+00 -0.197626D+01 -0.590064D+00  0.189036D+01
                91            92            93            94            95 
      1   0.104223D+01 -0.117603D+01 -0.213623D+00 -0.153320D+01  0.107460D+01
      2  -0.117603D+01  0.294544D+01  0.116009D+01  0.107460D+01 -0.736390D+01
      3  -0.213623D+00  0.116009D+01  0.825071D+00  0.517691D+00 -0.211818D+01
                96            97            98            99           100 
      1   0.517691D+00 -0.224006D+00  0.563172D+00 -0.153825D-01 -0.204823D+01
      2  -0.211818D+01  0.563172D+00 -0.169010D+01 -0.132469D+01  0.139191D+01
      3  -0.169357D+01 -0.153825D-01 -0.132469D+01 -0.154503D+01 -0.924123D+00
               101           102           103           104           105 
      1   0.139191D+01 -0.924123D+00  0.117085D+01 -0.100773D+01  0.102749D+01
      2  -0.113091D+01  0.108591D+01 -0.100773D+01  0.307763D+01 -0.169250D+01
      3   0.108591D+01 -0.153168D+01  0.102749D+01 -0.169250D+01  0.184368D+01
               106           107           108           109           110 
      1  -0.192381D+01  0.175448D+01 -0.183481D+01  0.208778D+01  0.169351D+01
      2   0.175448D+01 -0.339478D+01  0.247130D+01  0.169351D+01  0.355721D+01
      3  -0.183481D+01  0.247130D+01 -0.406517D+01  0.123923D+01  0.158606D+01
               111           112           113           114           115 
      1   0.123923D+01  0.150308D+01  0.166404D+01  0.946253D+00  0.130851D+01
      2   0.158606D+01  0.166404D+01  0.480642D+01  0.174092D+01  0.987323D+00
      3   0.140861D+01  0.946253D+00  0.174092D+01  0.181848D+01  0.551165D+00
               116           117           118           119           120 
      1   0.987323D+00  0.551165D+00 -0.547313D+01  0.622899D+00  0.287438D+01
      2   0.224285D+01  0.203407D+01  0.622899D+00 -0.106740D+01  0.127292D-01
      3   0.203407D+01  0.206170D+01  0.287438D+01  0.127292D-01 -0.281832D+01
               121           122           123           124           125 
      1  -0.853585D+00 -0.345235D+00  0.711203D+00  0.323782D+01 -0.577664D-01
      2  -0.345235D+00 -0.291619D+00  0.415743D+00 -0.577664D-01  0.104929D+01
      3   0.711203D+00  0.415743D+00 -0.424137D+00 -0.270652D+01  0.623152D+00
               126           127           128           129           130 
      1  -0.270652D+01  0.243210D+01 -0.208311D+01  0.494425D+00 -0.243946D+01
      2   0.623152D+00 -0.208311D+01  0.287489D+01  0.137869D+00  0.290931D+01
      3   0.327807D+01  0.494425D+00  0.137869D+00  0.589798D+00  0.780943D-01
               131           132           133           134           135 
      1   0.290931D+01  0.780943D-01 -0.444789D+00  0.804224D+00  0.191855D+00
      2  -0.664890D+01  0.392381D+00  0.804224D+00 -0.124506D+01 -0.535729D+00
      3   0.392381D+00 -0.131149D+01  0.191855D+00 -0.535729D+00 -0.407900D+00
               136           137           138           139           140 
      1  -0.316772D+01 -0.927842D+00  0.253055D+01 -0.673532D+00 -0.413554D+00
      2  -0.927842D+00 -0.128306D+01  0.146646D+01 -0.413554D+00 -0.136509D+01
      3   0.253055D+01  0.146646D+01 -0.402447D+01  0.824509D+00  0.113854D+01
               141           142           143           144           145 
      1   0.824509D+00  0.214802D+01  0.866559D+00 -0.212114D+01  0.382923D+01
      2   0.113854D+01  0.866559D+00  0.118419D+01 -0.114893D+01  0.115959D+01
      3  -0.908268D+00 -0.212114D+01 -0.114893D+01  0.483982D+01  0.255813D+01
               146           147           148           149           150 
      1   0.115959D+01  0.255813D+01  0.224788D+01  0.165792D+01  0.175220D+01
      2   0.176142D+01  0.104922D+01  0.165792D+01  0.184251D+01  0.124707D+01
      3   0.104922D+01  0.234739D+01  0.175220D+01  0.124707D+01  0.265578D+01
               151           152           153 
      1   0.204336D+01  0.983154D+00  0.164225D+01
      2   0.983154D+00  0.100091D+01  0.113284D+01
      3   0.164225D+01  0.113284D+01  0.318053D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.367630D-02 -0.398759D-03  0.288766D-02  0.360966D-02 -0.753891D-02
      2   0.460796D-02  0.106982D-01  0.459556D+01  0.251255D-02 -0.215231D-02
      3  -0.130584D-01 -0.459931D+01 -0.505532D-02  0.459294D+01 -0.126056D-01
                 6             7             8             9            10 
      1  -0.459204D+01  0.142348D-01  0.458709D+01 -0.647727D-02  0.109869D+01
      2   0.400983D-02 -0.458742D+01 -0.637364D-02  0.577155D-02 -0.644807D+01
      3  -0.264561D-02  0.280153D-02  0.303051D-02 -0.777910D-02 -0.856503D+00
                11            12            13            14            15 
      1   0.639882D+01  0.350726D+01  0.773470D+01 -0.181499D+01 -0.403245D+01
      2  -0.578286D+01  0.300636D+01 -0.541281D+01 -0.247544D+01 -0.741509D+01
      3   0.402981D+01  0.468390D+01  0.934589D+01 -0.304622D+01 -0.525868D+01
                16            17            18            19            20 
      1   0.396413D+01  0.752964D+00  0.719203D+00 -0.305502D+01 -0.195407D+01
      2  -0.327430D+01 -0.787071D+01  0.892126D+01  0.607105D+01  0.573929D+01
      3   0.431092D+01 -0.392213D+01  0.390626D+01 -0.388332D+01 -0.675580D+01
                21            22            23            24            25 
      1   0.695798D+01 -0.279436D+01 -0.273464D+01 -0.516652D+01  0.809209D+01
      2  -0.352799D+01  0.493657D+01 -0.405034D+01 -0.151170D+01 -0.885681D+01
      3  -0.268496D+01 -0.937228D+00  0.934355D+01  0.684661D+01 -0.187829D+01
                26            27            28            29            30 
      1   0.597767D-01  0.577611D+01  0.421488D+01  0.435990D+01 -0.674771D+01
      2  -0.264599D+01 -0.202597D+01  0.110325D+01  0.427739D+01  0.584508D+00
      3   0.600625D+01 -0.544594D+01  0.413499D+01 -0.797152D+01 -0.849242D+01
                31            32            33            34            35 
      1   0.470358D+01 -0.221131D+01  0.326225D+01 -0.787995D+01  0.904761D+01
      2   0.366751D+01  0.713383D+00  0.442155D+01 -0.379123D+01  0.555462D+01
      3  -0.174735D+01 -0.646256D+01 -0.541713D+01 -0.788308D+01 -0.507519D+01
                36            37            38            39            40 
      1  -0.200705D+01 -0.227091D+01 -0.879365D+01 -0.374313D+01 -0.963743D+01
      2  -0.180942D+01 -0.715372D+00 -0.423564D+01  0.108545D+02 -0.319716D+01
      3   0.232438D+01  0.603669D+00 -0.224444D+00  0.650482D+01  0.426636D+01
                41            42            43            44            45 
      1   0.674910D+01 -0.498783D+01 -0.419477D+01  0.106307D+01 -0.449611D+01
      2   0.580980D+01  0.452451D+01  0.499717D+01  0.497579D+01 -0.510231D+01
      3   0.175710D+00  0.382675D+01  0.547039D+01  0.298478D+01 -0.779931D+00
                46            47            48            49            50 
      1  -0.293838D+00  0.974778D+00  0.147484D+00 -0.389814D+00 -0.218651D+01
      2  -0.273122D+01  0.161340D+01 -0.211702D+01  0.274725D+01 -0.226780D+01
      3  -0.139762D+01 -0.650265D-01 -0.132204D+01  0.149000D+01 -0.195738D+01
                51            52            53            54            55 
      1  -0.264798D+00 -0.408997D+00  0.420931D+01  0.748226D+00  0.237370D+01
      2   0.430256D+01 -0.515289D+01  0.406377D+01 -0.946042D+01  0.244949D+01
      3   0.263814D+01 -0.226245D+01  0.291248D+01 -0.366463D+01  0.254362D+01
                56            57            58            59            60 
      1  -0.368835D+01 -0.742839D+00 -0.328791D+01  0.666052D+01 -0.978966D-01
      2  -0.487798D+00  0.176822D+01 -0.208857D+01  0.857174D+00 -0.207657D+01
      3  -0.559899D+01 -0.187258D+01 -0.214214D+01  0.869752D+01  0.243362D+01
                61            62            63            64            65 
      1  -0.150691D+01  0.281567D+01  0.899656D+00 -0.302761D+01 -0.287634D+01
      2  -0.925960D+00  0.117032D+00 -0.157982D+01  0.597749D+01  0.389179D+01
      3  -0.139687D+01  0.263994D+01  0.140719D+01 -0.362281D+00 -0.478567D+01
                66            67            68            69            70 
      1  -0.245752D+01 -0.307505D+01 -0.293357D+01 -0.300342D+01 -0.153973D+01
      2   0.466243D+01  0.404006D+01  0.355303D+01  0.420814D+01  0.204192D+01
      3  -0.875592D+00 -0.602852D+00 -0.414336D+01 -0.460075D+00 -0.932662D-01
                71            72            73            74            75 
      1  -0.738938D+00 -0.223100D+01 -0.191142D+01  0.196417D+01 -0.319531D+01
      2   0.265180D+01  0.320328D+01 -0.834700D+00 -0.623096D+00  0.289909D+01
      3  -0.210338D+01 -0.112002D+01  0.231696D+01 -0.206891D+01  0.251808D+01
                76            77            78            79            80 
      1   0.129383D+01 -0.308336D+01  0.226798D+01 -0.344675D+01  0.547648D+01
      2   0.656143D+00  0.119613D+01 -0.209380D+01 -0.127693D+01 -0.863921D+00
      3  -0.381196D+00  0.201070D+01 -0.248151D+01  0.261008D+01 -0.386347D+01
                81            82            83            84            85 
      1  -0.711743D+01  0.372396D+01  0.121187D+01 -0.395158D+01  0.168986D+01
      2   0.592063D+01 -0.613863D+01 -0.238539D+01  0.688139D+01 -0.202058D+01
      3   0.432226D+01  0.503352D+01 -0.215594D+01 -0.132732D+01  0.152989D+01
                86            87            88            89            90 
      1   0.121102D+01 -0.176000D+01 -0.305483D+01  0.752838D-01  0.325062D+01
      2  -0.122466D+01  0.165090D+01  0.332774D+01  0.139334D+01 -0.537193D+01
      3  -0.107698D+01 -0.483469D+00 -0.261812D+01  0.143944D+01  0.166923D+01
                91            92            93            94            95 
      1   0.831111D+00 -0.144759D+01  0.107605D+01 -0.524632D+00  0.431070D+01
      2   0.164159D+01 -0.199638D+01  0.196018D+00 -0.294391D+01  0.353257D+01
      3  -0.388163D+01  0.317088D+01  0.117070D+01  0.655533D+01 -0.911949D+01
                96            97            98            99           100 
      1  -0.295359D+01 -0.551524D+00  0.127515D+01 -0.120325D+01  0.186639D+01
      2   0.179927D+01 -0.126241D+01  0.180917D+01  0.127780D+01  0.814228D+00
      3  -0.299890D+01  0.166991D+01 -0.280910D+01 -0.127686D+01 -0.224921D+01
               101           102           103           104           105 
      1  -0.174906D+01  0.384767D+01 -0.226933D+01  0.304807D+01 -0.556584D+01
      2  -0.150772D+01  0.310189D+01 -0.770640D+00  0.196087D+01 -0.288399D+01
      3  -0.307780D+00 -0.339772D+00  0.254274D+01  0.138809D+01  0.319362D+00
               106           107           108           109           110 
      1   0.327532D+01 -0.240395D+01  0.893854D+01 -0.124463D+01  0.628898D-01
      2   0.451215D-01 -0.249917D+01  0.540851D+01 -0.292667D+01 -0.186243D+01
      3  -0.264383D+01 -0.112728D+01 -0.778512D+00  0.617154D+01  0.329624D+01
               111           112           113           114           115 
      1  -0.262693D+01 -0.898979D+00  0.165123D+00 -0.412487D+01 -0.429048D+00
      2  -0.198869D+00 -0.254786D+01 -0.234443D+01 -0.136533D+01 -0.259481D+01
      3   0.310128D+01  0.628030D+01  0.572309D+01  0.323389D+01  0.422901D+01
               116           117           118           119           120 
      1  -0.434670D+00 -0.284120D+01 -0.426703D+01 -0.210369D+01  0.466413D+01
      2  -0.194361D+01 -0.118738D+01  0.118984D+01 -0.363251D+00  0.350640D+01
      3   0.300625D+01  0.239268D+01 -0.759735D+01 -0.292136D+01  0.461657D+01
               121           122           123           124           125 
      1  -0.919384D+00 -0.124579D+01 -0.107849D+00  0.401528D+01  0.183404D+01
      2   0.121456D+00 -0.234174D+00  0.372928D+00 -0.105432D+01 -0.412408D+00
      3  -0.357606D+00 -0.141025D+01  0.115149D+01  0.525852D+01  0.252555D+01
               126           127           128           129           130 
      1  -0.441404D+01 -0.255933D+01  0.477839D+01  0.205354D+01  0.448727D+01
      2  -0.268548D+01 -0.286354D+01  0.305414D+01  0.137545D+01  0.374677D+01
      3  -0.362018D+01 -0.157948D+01 -0.179008D+01 -0.513023D+00  0.276430D+01
               131           132           133           134           135 
      1  -0.937803D+01 -0.395309D+01  0.100483D+01 -0.104906D+01 -0.191396D+01
      2  -0.428670D+01 -0.246434D+01 -0.233540D+00 -0.122722D+01 -0.103551D+01
      3   0.299172D+01 -0.211837D+00  0.360938D+00  0.422951D+00  0.225209D+00
               136           137           138           139           140 
      1   0.712543D+00 -0.216653D+01 -0.153688D+01  0.232623D+00 -0.141167D+01
      2   0.815961D+01  0.191573D+01 -0.380165D+01  0.220705D+01  0.108531D+01
      3   0.386614D+01 -0.565504D+00 -0.262566D+01  0.179744D+01  0.606119D+00
               141           142           143           144           145 
      1  -0.363793D+00 -0.410496D+00  0.288179D+01  0.244986D+01  0.381217D+01
      2  -0.179815D+01 -0.725589D+01 -0.212809D+01  0.521680D+01 -0.475269D+01
      3  -0.129802D+01 -0.311349D+01 -0.535894D+00  0.254807D+01 -0.284970D+01
               146           147           148           149           150 
      1   0.502885D+01  0.274490D+01  0.365116D+01  0.486327D+01  0.179250D+01
      2  -0.125826D+01 -0.135052D+00 -0.314378D+01 -0.182256D+01  0.325114D+00
      3  -0.433840D+01 -0.253666D+01 -0.134532D+01 -0.370785D+01 -0.183725D+01
               151           152           153 
      1   0.305682D+01  0.420020D+01  0.344803D+01
      2  -0.379692D+01 -0.967841D+00  0.303831D+00
      3  -0.202317D+01 -0.250424D+01 -0.210143D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.441500D+01 -0.274461D+01  0.249300D+01 -0.274621D+01 -0.181304D+01
      2  -0.182119D+01  0.293665D+01 -0.116331D+01  0.293714D+01  0.193296D+01
      3  -0.259381D+01 -0.192047D+00 -0.132968D+01 -0.190930D+00 -0.119922D+00
      4  -0.275475D+01 -0.185338D+01 -0.785789D+00 -0.185276D+01  0.294196D+01
      5   0.248525D+01 -0.788280D+00 -0.263197D+01 -0.784779D+00 -0.116908D+01
      6  -0.785982D+00 -0.116314D+01 -0.203703D+00 -0.116507D+01 -0.341398D+01
                 6             7             8             9            10 
      1  -0.781195D+00  0.249992D+01 -0.774297D+00 -0.260564D+01 -0.517504D+01
      2  -0.340548D+01 -0.116043D+01 -0.340311D+01 -0.111487D+00 -0.389858D+01
      3   0.418667D+01 -0.133949D+01  0.417741D+01  0.271713D+01  0.907361D+01
      4  -0.116570D+01 -0.782034D+00 -0.116428D+01 -0.203169D+00 -0.143279D+01
      5  -0.198796D+00 -0.263477D+01 -0.196633D+00 -0.133414D+01 -0.573982D+01
      6  -0.145303D+00 -0.204579D+00 -0.145253D+00  0.418200D+01 -0.408890D+01
                11            12            13            14            15 
      1  -0.430620D+01 -0.199748D+01 -0.446330D+01 -0.812489D+01 -0.139397D+02
      2  -0.609544D+01  0.336317D+01 -0.496224D+01  0.518872D+01  0.149663D+01
      3   0.104016D+02 -0.136569D+01  0.942554D+01  0.293617D+01  0.124431D+02
      4  -0.122104D+02 -0.972947D+01 -0.132778D+02  0.258815D+01  0.176633D+01
      5  -0.841673D+01  0.586771D+01 -0.939055D+01  0.645914D+01  0.289880D+01
      6   0.412327D+01  0.855352D+01  0.472870D+01 -0.387893D+01 -0.677808D+01
                16            17            18            19            20 
      1  -0.252524D+01 -0.142179D+02  0.134552D+02 -0.829139D+01 -0.895144D+01
      2   0.274616D+01  0.225504D+01 -0.146382D+01  0.245274D+01  0.627999D+01
      3  -0.220921D+00  0.119629D+02 -0.119913D+02  0.583865D+01  0.267145D+01
      4  -0.109866D+02  0.543049D+00 -0.104439D+01 -0.392330D+01  0.151618D+01
      5   0.605270D+01  0.214998D+01 -0.100612D+01  0.521415D+01  0.696355D+01
      6   0.682825D+01 -0.677168D+01  0.789423D+01  0.647228D+01  0.106116D+02
                21            22            23            24            25 
      1   0.532282D+01 -0.889510D+01  0.135557D+02  0.899581D+01  0.615966D+01
      2   0.864826D+01  0.485990D+01 -0.136791D+02 -0.110176D+02  0.763652D+01
      3  -0.139711D+02  0.403520D+01  0.123460D+00  0.202177D+01 -0.137962D+02
      4   0.106141D+02  0.252455D+01  0.336151D+01  0.449951D+01  0.116226D+02
      5  -0.573715D+01  0.720804D+01  0.401099D+01  0.805011D+01 -0.704985D+01
      6   0.162675D+00  0.934383D+01 -0.744424D+01 -0.158303D+01  0.102661D+00
                26            27            28            29            30 
      1   0.976238D+01 -0.521862D+01 -0.291597D+01  0.693925D+01  0.108334D+02
      2  -0.109853D+02  0.112522D+02  0.490385D+01 -0.890612D+01 -0.166566D+02
      3   0.122292D+01 -0.603360D+01 -0.198788D+01  0.196688D+01  0.582319D+01
      4   0.475357D+01  0.794772D+00  0.218526D+01 -0.720163D+00 -0.226080D+01
      5   0.662312D+01 -0.905473D+01  0.660535D+01  0.278316D+01 -0.101203D+02
      6  -0.748009D+00  0.114483D+01 -0.529690D+01 -0.131880D+02  0.420690D+01
                31            32            33            34            35 
      1   0.682703D+01  0.507350D+01  0.581701D+01  0.113793D+02  0.475665D+01
      2  -0.821318D+01 -0.191798D+01 -0.336684D+00 -0.164769D+02 -0.275313D+00
      3   0.138615D+01 -0.315552D+01 -0.548033D+01  0.509760D+01 -0.448134D+01
      4  -0.775946D-01 -0.101899D+02 -0.111625D+02 -0.151500D+01 -0.121609D+02
      5   0.458748D+01 -0.668708D+01  0.841067D+00 -0.103322D+02  0.220957D+01
      6  -0.120108D+02  0.226556D+01 -0.861260D+01  0.499136D+01 -0.938917D+01
                36            37            38            39            40 
      1  -0.222652D+01  0.320637D+01  0.159304D+01 -0.983109D+01  0.181172D+01
      2  -0.275710D+01  0.380093D+01  0.138281D+02  0.262490D+01  0.134192D+02
      3   0.498362D+01 -0.700730D+01 -0.154211D+02  0.720619D+01 -0.152309D+02
      4   0.777235D+01 -0.155532D+01 -0.738586D+01  0.318052D-01 -0.796622D+01
      5   0.145545D-01 -0.176041D+01 -0.267866D+01 -0.101542D+02 -0.375720D+01
      6   0.316710D+01  0.156822D+01 -0.356444D+01 -0.132715D+02 -0.406972D+01
                41            42            43            44            45 
      1  -0.324424D+01 -0.224461D+01 -0.106985D+02 -0.168087D+01 -0.729448D-01
      2  -0.707805D+01  0.399051D+01  0.407371D+01  0.314524D+01  0.318219D+01
      3   0.103223D+02 -0.174590D+01  0.662482D+01 -0.146436D+01 -0.310925D+01
      4   0.933200D+01  0.288760D+01 -0.477377D+00  0.484602D+01 -0.786276D+01
      5  -0.577830D+01 -0.121528D+02 -0.880326D+01 -0.113368D+02  0.773567D+01
      6   0.319205D+01  0.113169D+01 -0.122721D+02  0.105671D+01 -0.496533D+01
                46            47            48            49            50 
      1  -0.134458D+01  0.325541D+01 -0.563802D+01  0.292105D+01 -0.580769D+01
      2  -0.500872D+00 -0.112559D+01 -0.160717D+01 -0.920690D+00  0.253296D+01
      3   0.184546D+01 -0.212982D+01  0.724518D+01 -0.200036D+01  0.327473D+01
      4  -0.831009D+00  0.220145D+01 -0.222711D+00  0.381752D+01  0.230368D+01
      5   0.301921D+01 -0.745499D+00  0.294855D+01 -0.182642D+01 -0.265507D+01
      6  -0.178343D+01  0.301636D+01 -0.385232D+01  0.130467D+00 -0.868539D+01
                51            52            53            54            55 
      1   0.941868D+01 -0.434894D+01  0.907085D+01 -0.196057D+02  0.128453D+02
      2   0.299721D+00  0.135089D+01 -0.570434D+00 -0.102542D+02 -0.726912D+01
      3  -0.971840D+01  0.299805D+01 -0.850042D+01  0.298599D+02 -0.557616D+01
      4  -0.279677D+01 -0.863718D+00 -0.358638D+01  0.361793D+01 -0.763950D+01
      5   0.372290D+01  0.589458D+01  0.305160D+01 -0.921573D+01 -0.944949D+01
      6   0.114666D+02 -0.117905D+01  0.117622D+02 -0.151678D+02  0.457351D+01
                56            57            58            59            60 
      1  -0.553195D+01 -0.280497D+01 -0.915904D+01  0.273699D+01  0.119430D+01
      2   0.436768D+01  0.395861D+01  0.601649D+01  0.104926D+01 -0.399723D+01
      3   0.116427D+01 -0.115364D+01  0.314255D+01 -0.378625D+01  0.280293D+01
      4   0.104801D+02  0.396745D+01  0.119386D+02 -0.153089D+02 -0.489316D+01
      5   0.649669D+01  0.717183D+01  0.100583D+02 -0.731565D+01 -0.886265D+01
      6  -0.529198D+01 -0.345118D+01 -0.614476D+01  0.117515D+02  0.744371D+01
                61            62            63            64            65 
      1  -0.213199D+01  0.178468D+01 -0.132252D+01  0.221132D+02  0.865710D+01
      2   0.365625D+01 -0.273686D+01 -0.371269D+01 -0.627933D+01  0.122218D+01
      3  -0.152425D+01  0.952183D+00  0.503521D+01 -0.158339D+02 -0.987928D+01
      4   0.357188D+01 -0.355798D+01 -0.330795D+01  0.145846D+02  0.134778D+02
      5   0.675847D+01 -0.521301D+01 -0.659175D+01 -0.193814D+01 -0.574786D-01
      6  -0.362055D+01  0.641072D+01  0.289835D+01 -0.155666D+01 -0.288671D+01
                66            67            68            69            70 
      1   0.390818D+01  0.108174D+02  0.466174D+01  0.308078D+01  0.811669D+01
      2  -0.721998D-02  0.325957D+00  0.580341D+01  0.174440D+01 -0.212720D+01
      3  -0.390096D+01 -0.111433D+02 -0.104651D+02 -0.482517D+01 -0.598949D+01
      4   0.323740D+01  0.145231D+02  0.135658D+02  0.205601D+01  0.616171D+01
      5   0.496230D+01 -0.894236D+00 -0.102152D+01  0.385309D+01  0.339004D+01
      6   0.578156D+00 -0.252929D+01 -0.183559D+01  0.356965D+01  0.538482D+00
                71            72            73            74            75 
      1   0.308135D+01  0.115983D+01  0.727815D+01 -0.516236D+00  0.305312D+01
      2   0.229176D+01 -0.229729D+00 -0.782602D+01  0.163257D+01 -0.854039D+01
      3  -0.537311D+01 -0.930100D+00  0.547868D+00 -0.111634D+01  0.548727D+01
      4   0.542615D+01  0.341265D+01  0.146153D+01  0.306410D+01 -0.538208D+00
      5   0.249267D+01  0.455004D+01  0.949619D+01 -0.263300D+01  0.124414D+02
      6   0.221994D+01  0.124257D+01  0.295443D+00  0.418429D+00  0.214482D+01
                76            77            78            79            80 
      1  -0.262232D+01 -0.156039D+01 -0.231004D+00  0.416041D+01 -0.176283D+01
      2   0.340003D+01 -0.631969D+00  0.697305D+01 -0.995653D+01  0.577429D+01
      3  -0.777710D+00  0.219236D+01 -0.674205D+01  0.579612D+01 -0.401146D+01
      4   0.205616D+01 -0.363850D+01  0.263617D+01  0.425308D+00  0.397928D+01
      5  -0.569710D+01  0.295555D+01 -0.670360D+01  0.144349D+02 -0.305594D+01
      6   0.543316D+00 -0.259809D+01  0.334604D+01  0.216540D+01  0.521401D+01
                81            82            83            84            85 
      1  -0.339594D+01  0.255518D+02  0.541135D+01 -0.753234D+01  0.433090D+01
      2  -0.185329D+02 -0.799839D+01  0.166966D+01  0.535905D+00  0.148799D+01
      3   0.219288D+02 -0.175534D+02 -0.708101D+01  0.699643D+01 -0.581889D+01
      4  -0.244239D-01  0.167888D+02  0.107673D+02 -0.555419D+01  0.900151D+01
      5   0.204937D+02 -0.366469D+01 -0.131756D+01  0.764746D+01 -0.106341D+01
      6   0.426602D+01 -0.367397D+01 -0.187994D+01  0.460192D+01 -0.228268D+01
                86            87            88            89            90 
      1   0.610325D+00 -0.185178D+01 -0.116468D+02 -0.185635D+01  0.457852D+01
      2   0.440837D+01 -0.121191D+00  0.266672D+01 -0.184047D+01 -0.310836D+01
      3  -0.501869D+01  0.197297D+01  0.898007D+01  0.369682D+01 -0.147016D+01
      4   0.629542D+01 -0.371652D+01 -0.905723D+01 -0.703045D+01  0.423751D+01
      5  -0.166798D+01  0.578390D+00  0.701666D+01  0.140844D+01 -0.669145D+01
      6  -0.197687D+00  0.317498D+01  0.410795D+01  0.303279D+01 -0.562089D+01
                91            92            93            94            95 
      1  -0.154179D+01  0.802480D+01  0.245319D+01  0.633867D+01 -0.215209D+02
      2   0.334087D+01 -0.101475D+02 -0.185087D+01 -0.567912D+01  0.316016D+02
      3  -0.179908D+01  0.212266D+01 -0.602319D+00 -0.659552D+00 -0.100807D+02
      4  -0.392278D+01  0.387271D+01  0.214894D+00  0.599315D+01  0.437132D+01
      5  -0.305635D+01  0.166012D+01  0.202121D+01  0.255058D+01 -0.250678D+00
      6   0.201742D+01 -0.609386D+01 -0.464413D+01 -0.293359D+01  0.172336D+02
                96            97            98            99           100 
      1  -0.792241D+01  0.115758D+01 -0.705260D+01 -0.468352D+01  0.454686D+01
      2   0.660910D+01 -0.168556D+01  0.609175D+01  0.168199D+01  0.167970D+00
      3   0.131331D+01  0.527973D+00  0.960846D+00  0.300153D+01 -0.471483D+01
      4   0.116697D+01  0.173054D+00  0.113409D+01  0.309193D+00 -0.846995D+01
      5   0.639353D+00  0.306118D+01 -0.189522D+00  0.153758D+01  0.321509D+01
      6   0.112619D+02 -0.170210D+01  0.985917D+01  0.656186D+01 -0.331556D+01
               101           102           103           104           105 
      1  -0.143965D+01  0.919572D+00 -0.127997D+01 -0.552502D+01  0.147599D+01
      2  -0.341787D+01  0.254169D+01 -0.327282D+01  0.134939D+02 -0.615563D+01
      3   0.485752D+01 -0.346126D+01  0.455279D+01 -0.796889D+01  0.467965D+01
      4   0.850662D+01 -0.505940D+01  0.791626D+01 -0.875400D+01  0.654220D+01
      5  -0.291445D+01  0.662060D+01 -0.251993D+01  0.395177D+01 -0.361607D+01
      6   0.445869D+01 -0.522403D+01  0.448656D+01 -0.743089D+01  0.970995D+01
               106           107           108           109           110 
      1   0.237124D+01  0.384001D+01 -0.263484D+01 -0.209255D+01 -0.857065D+01
      2   0.224641D+01 -0.104713D+02  0.263848D+01  0.367382D+01  0.129570D+02
      3  -0.461765D+01  0.663124D+01 -0.364105D-02 -0.158127D+01 -0.438633D+01
      4  -0.865074D+01  0.997117D+01 -0.733599D+01  0.891844D+01  0.709099D+01
      5   0.710424D+01 -0.466847D+01  0.908101D+01  0.300953D+01  0.173004D+01
      6  -0.582399D+01  0.112367D+02 -0.152846D+02  0.495983D+01  0.827137D+01
               111           112           113           114           115 
      1  -0.540808D+01 -0.603977D+01 -0.153634D+02 -0.767967D+01 -0.455969D+01
      2   0.385161D+01  0.764441D+01  0.232822D+02  0.711551D+01  0.368920D+01
      3   0.155647D+01 -0.160464D+01 -0.791882D+01  0.564161D+00  0.870492D+00
      4   0.373617D+01  0.729136D+01  0.464312D+01  0.284175D+01  0.426143D+01
      5   0.360091D+01  0.132210D+01  0.144167D+01  0.824380D-03  0.422379D+01
      6   0.679776D+01  0.533182D+01  0.123892D+02  0.109084D+02  0.343283D+01
               116           117           118           119           120 
      1  -0.854224D+01 -0.681635D+01  0.182977D+02  0.545474D+00 -0.683875D+01
      2   0.861634D+01  0.362387D+01 -0.131204D+02 -0.276617D+01  0.954668D+01
      3  -0.740943D-01  0.319247D+01 -0.517725D+01  0.222070D+01 -0.270793D+01
      4   0.265297D+01  0.136356D+01 -0.115987D+02  0.656862D+01  0.606266D+01
      5   0.406826D+00  0.114422D+01 -0.153021D+02  0.968217D+00  0.132544D+02
      6   0.116391D+02  0.964574D+01  0.641781D+01 -0.191659D+01 -0.680687D+01
               121           122           123           124           125 
      1   0.278885D+01  0.568838D+00 -0.118429D+01 -0.815884D+01 -0.176857D+01
      2  -0.303399D+01 -0.443917D+00  0.295534D+01  0.984215D+01  0.310276D+01
      3   0.245134D+00 -0.124921D+00 -0.177104D+01 -0.168331D+01 -0.133419D+01
      4   0.338686D+01  0.102097D+01 -0.115102D+01  0.717238D+01 -0.280153D+01
      5  -0.189171D+01 -0.174201D+01  0.162009D+01  0.132880D+02 -0.133895D+01
      6  -0.750160D+00 -0.164646D+00  0.282776D+01 -0.593767D+01  0.521437D+01
               126           127           128           129           130 
      1   0.163380D+01  0.490236D+01 -0.169340D+01 -0.366277D+00 -0.265692D+01
      2  -0.836751D+01  0.138929D+01 -0.738520D+01 -0.122049D+01 -0.672958D+01
      3   0.673371D+01 -0.629165D+01  0.907860D+01  0.158676D+01  0.938651D+01
      4  -0.572275D+01 -0.998967D+01  0.122625D+02 -0.463932D+00  0.130827D+02
      5  -0.125742D+02  0.460118D+01 -0.355377D+01  0.452403D+01 -0.478942D+01
      6   0.678714D+01 -0.384424D+01  0.618784D+01 -0.148890D+01  0.580667D+01
               131           132           133           134           135 
      1  -0.627255D+01  0.269852D+01 -0.112888D+01  0.336081D+00 -0.597947D+00
      2   0.228905D+02  0.136253D+01 -0.933376D+00  0.400239D+01  0.132340D+01
      3  -0.166179D+02 -0.406105D+01  0.206225D+01 -0.433847D+01 -0.725455D+00
      4  -0.173196D+02  0.600019D+00  0.228563D+01 -0.248599D+01 -0.152121D+01
      5   0.546624D+01 -0.234591D+01  0.248572D+01 -0.905054D+00 -0.122494D+01
      6  -0.129222D+02  0.650800D+01 -0.497063D+00  0.320596D+01  0.107061D+01
               136           137           138           139           140 
      1  -0.179307D+01 -0.359206D+01  0.901508D+01 -0.241332D+01 -0.346778D+01
      2  -0.410238D+01  0.689597D+00  0.548746D+01 -0.368413D+00  0.250441D+01
      3   0.589545D+01  0.290246D+01 -0.145025D+02  0.278173D+01  0.963372D+00
      4   0.632051D+01  0.441364D+01 -0.384018D+01  0.436095D+01  0.723057D+00
      5  -0.124503D+02 -0.274969D+01  0.108259D+02 -0.200387D+01 -0.183383D+01
      6  -0.481888D+01 -0.687749D+01  0.887873D+01 -0.347340D+01 -0.583691D+01
               141           142           143           144           145 
      1   0.466996D+01  0.670523D+01  0.502140D+01 -0.136055D+02  0.973548D+01
      2  -0.980064D+00  0.253127D+01 -0.798960D+00 -0.930422D+01 -0.117821D+02
      3  -0.368990D+01 -0.923650D+01 -0.422244D+01  0.229098D+02  0.204657D+01
      4  -0.215705D+01 -0.352935D+01 -0.188448D+01  0.372668D+01  0.185815D+01
      5   0.282026D+01  0.101450D+02  0.306242D+01 -0.822195D+01  0.157157D+02
      6   0.767801D+01  0.578296D+01  0.810386D+01 -0.108395D+02  0.286001D+01
               146           147           148           149           150 
      1   0.291908D+01  0.241902D+01  0.444071D+01  0.624535D+00 -0.151590D+01
      2  -0.573920D+01 -0.951243D+01 -0.691179D+01 -0.120066D+01 -0.653385D+01
      3   0.282012D+01  0.709341D+01  0.247108D+01  0.576121D+00  0.804974D+01
      4   0.525034D+01  0.589505D+00  0.458498D+01  0.406336D+01  0.204646D+01
      5   0.525263D+01  0.140602D+02  0.889213D+01  0.583584D+01  0.885499D+01
      6   0.577467D+01  0.301818D+01  0.498841D+01  0.757600D+01  0.539528D+01
               151           152           153 
      1   0.264874D+01  0.277428D-02 -0.290977D+01
      2  -0.809951D+01 -0.419741D+01 -0.107287D+02
      3   0.545077D+01  0.419464D+01  0.136385D+02
      4   0.188049D+00  0.136573D+01  0.178799D+01
      5   0.122681D+02  0.549923D+01  0.113585D+02
      6   0.328669D+01  0.540111D+01  0.301698D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jan 27 11:59:48 2022, MaxMem=  5368709120 cpu:            4158.1 elap:             521.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.05305 -10.02352 -10.02352 -10.02352 -10.02346
 Alpha  occ. eigenvalues --   -0.92392  -0.78407  -0.78406  -0.78406  -0.63147
 Alpha  occ. eigenvalues --   -0.54776  -0.54776  -0.54776  -0.49475  -0.49475
 Alpha  occ. eigenvalues --   -0.45071  -0.45071  -0.45071  -0.40937  -0.40937
 Alpha  occ. eigenvalues --   -0.40936
 Alpha virt. eigenvalues --    0.03177   0.04618   0.04618   0.04618   0.06645
 Alpha virt. eigenvalues --    0.06645   0.06645   0.07079   0.07079   0.09351
 Alpha virt. eigenvalues --    0.09351   0.09351   0.10849   0.13564   0.13564
 Alpha virt. eigenvalues --    0.13564   0.15374   0.15962   0.15962   0.15962
 Alpha virt. eigenvalues --    0.18090   0.18090   0.18091   0.18169   0.18169
 Alpha virt. eigenvalues --    0.20259   0.20259   0.20259   0.21324   0.21325
 Alpha virt. eigenvalues --    0.21325   0.21643   0.24832   0.24832   0.28576
 Alpha virt. eigenvalues --    0.28576   0.28576   0.31695   0.31696   0.31696
 Alpha virt. eigenvalues --    0.33246   0.33246   0.33246   0.37528   0.37529
 Alpha virt. eigenvalues --    0.37529   0.38632   0.42116   0.42117   0.43754
 Alpha virt. eigenvalues --    0.43755   0.43756   0.44245   0.44245   0.44246
 Alpha virt. eigenvalues --    0.45004   0.45679   0.45679   0.45679   0.50603
 Alpha virt. eigenvalues --    0.50604   0.51514   0.53109   0.53109   0.53109
 Alpha virt. eigenvalues --    0.53654   0.53655   0.53655   0.54705   0.54705
 Alpha virt. eigenvalues --    0.59389   0.59887   0.59887   0.59888   0.62070
 Alpha virt. eigenvalues --    0.62071   0.62071   0.66333   0.66334   0.66334
 Alpha virt. eigenvalues --    0.66635   0.66636   0.66637   0.68358   0.69032
 Alpha virt. eigenvalues --    0.71057   0.71059   0.71059   0.75209   0.75209
 Alpha virt. eigenvalues --    0.75209   0.77509   0.77510   0.84548   0.84549
 Alpha virt. eigenvalues --    0.84549   0.84666   0.84667   0.84671   0.84672
 Alpha virt. eigenvalues --    0.84673   0.87491   0.87491   0.87491   0.91501
 Alpha virt. eigenvalues --    0.91502   0.91503   0.95325   0.98248   0.98249
 Alpha virt. eigenvalues --    0.98249   0.99474   0.99475   1.10848   1.10852
 Alpha virt. eigenvalues --    1.12968   1.12969   1.12970   1.21612   1.23376
 Alpha virt. eigenvalues --    1.23378   1.23378   1.26620   1.26621   1.26621
 Alpha virt. eigenvalues --    1.41801   1.41802   1.41803   1.47419   1.47420
 Alpha virt. eigenvalues --    1.47420   1.55259   1.55259   1.55261   1.62856
 Alpha virt. eigenvalues --    1.62857   1.64400   1.65478   1.65480   1.65481
 Alpha virt. eigenvalues --    1.68723   1.68727   1.75916   1.83652   1.83655
 Alpha virt. eigenvalues --    1.83655   1.88302   1.88302   1.88303   1.89572
 Alpha virt. eigenvalues --    1.89574   1.90944   1.90947   1.90949   1.98997
 Alpha virt. eigenvalues --    1.98997   1.98999   2.09460   2.09461   2.09462
 Alpha virt. eigenvalues --    2.09706   2.11997   2.12000   2.12000   2.15292
 Alpha virt. eigenvalues --    2.15294   2.18148   2.18153   2.18155   2.31684
 Alpha virt. eigenvalues --    2.31685   2.31687   2.33171   2.33175   2.38199
 Alpha virt. eigenvalues --    2.41261   2.41263   2.41264   2.43463   2.43465
 Alpha virt. eigenvalues --    2.43466   2.53413   2.53414   2.62904   2.62920
 Alpha virt. eigenvalues --    2.62922   2.62923   2.69014   2.69015   2.69016
 Alpha virt. eigenvalues --    2.76426   2.76429   2.76430   2.84666   2.84666
 Alpha virt. eigenvalues --    2.84667   3.00053   3.08520   3.08525   3.28667
 Alpha virt. eigenvalues --    3.28672   3.28675
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   10.994317  -0.492500  -0.492526  -0.492521  -0.492454   0.099209
     2  C   -0.492500   4.909084  -0.098607  -0.098616  -0.098465   0.098677
     3  C   -0.492526  -0.098607   4.909059  -0.098560  -0.098502   0.012995
     4  C   -0.492521  -0.098616  -0.098560   4.909158  -0.098554   0.013058
     5  C   -0.492454  -0.098465  -0.098502  -0.098554   4.908800  -0.028056
     6  H    0.099209   0.098677   0.012995   0.013058  -0.028056   2.107725
     7  H    0.099708   0.098337   0.012979  -0.028109   0.012942  -0.528147
     8  H    0.099806   0.098378  -0.028102   0.012920   0.012966  -0.528151
     9  H    0.099546   0.012534   0.098512   0.013426  -0.028072  -0.072481
    10  H    0.099678  -0.028089   0.098441   0.012538   0.013359   0.022963
    11  H    0.099520   0.013412   0.098428  -0.028096   0.012570   0.007994
    12  H    0.099886   0.013035   0.012876   0.098236  -0.028094  -0.072511
    13  H    0.099336   0.012921  -0.028088   0.098557   0.013095   0.007970
    14  H    0.099502  -0.028090   0.013078   0.098538   0.012879   0.022982
    15  H    0.099410   0.012796   0.013134  -0.028057   0.098616   0.022979
    16  H    0.099723  -0.028087   0.012771   0.013129   0.098359  -0.031621
    17  H    0.099746   0.013136  -0.028070   0.012744   0.098398   0.022988
               7          8          9         10         11         12
     1  C    0.099708   0.099806   0.099546   0.099678   0.099520   0.099886
     2  C    0.098337   0.098378   0.012534  -0.028089   0.013412   0.013035
     3  C    0.012979  -0.028102   0.098512   0.098441   0.098428   0.012876
     4  C   -0.028109   0.012920   0.013426   0.012538  -0.028096   0.098236
     5  C    0.012942   0.012966  -0.028072   0.013359   0.012570  -0.028094
     6  H   -0.528147  -0.528151  -0.072481   0.022963   0.007994  -0.072511
     7  H    2.107468  -0.528003   0.007942   0.022986  -0.072519   0.022977
     8  H   -0.528003   2.107384   0.022969  -0.031618   0.022979   0.007970
     9  H    0.007942   0.022969   2.107614  -0.528120  -0.528164  -0.072526
    10  H    0.022986  -0.031618  -0.528120   2.107554  -0.528068   0.007926
    11  H   -0.072519   0.022979  -0.528164  -0.528068   2.107573   0.022994
    12  H    0.022977   0.007970  -0.072526   0.007926   0.022994   2.107364
    13  H    0.022969  -0.072498   0.022982   0.022973  -0.031620  -0.528149
    14  H   -0.031618   0.022971   0.007992  -0.072490   0.022964  -0.528094
    15  H   -0.072510   0.007936   0.022969   0.007992  -0.072506  -0.031621
    16  H    0.022980   0.022988   0.022992  -0.072533   0.007913   0.022976
    17  H    0.007952  -0.072524  -0.031621   0.022982   0.022987   0.022976
              13         14         15         16         17
     1  C    0.099336   0.099502   0.099410   0.099723   0.099746
     2  C    0.012921  -0.028090   0.012796  -0.028087   0.013136
     3  C   -0.028088   0.013078   0.013134   0.012771  -0.028070
     4  C    0.098557   0.098538  -0.028057   0.013129   0.012744
     5  C    0.013095   0.012879   0.098616   0.098359   0.098398
     6  H    0.007970   0.022982   0.022979  -0.031621   0.022988
     7  H    0.022969  -0.031618  -0.072510   0.022980   0.007952
     8  H   -0.072498   0.022971   0.007936   0.022988  -0.072524
     9  H    0.022982   0.007992   0.022969   0.022992  -0.031621
    10  H    0.022973  -0.072490   0.007992  -0.072533   0.022982
    11  H   -0.031620   0.022964  -0.072506   0.007913   0.022987
    12  H   -0.528149  -0.528094  -0.031621   0.022976   0.022976
    13  H    2.107744  -0.528111   0.022983   0.007979  -0.072523
    14  H   -0.528111   2.107588   0.022989  -0.072528   0.007945
    15  H    0.022983   0.022989   2.107912  -0.528172  -0.528152
    16  H    0.007979  -0.072528  -0.528172   2.107692  -0.528186
    17  H   -0.072523   0.007945  -0.528152  -0.528186   2.107675
 Mulliken charges:
               1
     1  C   -4.219385
     2  C    1.590145
     3  C    1.590184
     4  C    1.590208
     5  C    1.590214
     6  H   -0.178574
     7  H   -0.178332
     8  H   -0.178372
     9  H   -0.178493
    10  H   -0.178472
    11  H   -0.178361
    12  H   -0.178220
    13  H   -0.178519
    14  H   -0.178498
    15  H   -0.178699
    16  H   -0.178377
    17  H   -0.178450
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -4.219385
     2  C    1.054868
     3  C    1.054859
     4  C    1.054971
     5  C    1.054688
 Electronic spatial extent (au):  <R**2>=            484.5959
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0000    Y=             -0.0000    Z=              0.0000  Tot=              0.0000
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -35.7329   YY=            -35.7328   ZZ=            -35.7328
   XY=             -0.0000   XZ=              0.0000   YZ=             -0.0000
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.0001   YY=              0.0000   ZZ=              0.0001
   XY=             -0.0000   XZ=              0.0000   YZ=             -0.0000
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.4119  YYY=             -1.1499  ZZZ=             -0.9298  XYY=              1.8514
  XXY=              0.0198  XXZ=              1.4823  XZZ=             -1.4395  YZZ=              1.1298
  YYZ=             -0.5525  XYZ=              1.9842
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -236.4849 YYYY=           -235.3822 ZZZZ=           -235.7172 XXXY=              1.2025
 XXXZ=             -1.0964 YYYX=             -1.2916 YYYZ=              1.4927 ZZZX=              0.5864
 ZZZY=             -1.8365 XXYY=            -77.3744 XXZZ=            -77.0325 YYZZ=            -78.1190
 XXYZ=              0.3433 YYXZ=              0.5105 ZZXY=              0.0890
 N-N= 1.985943013625D+02 E-N=-8.532831476693D+02  KE= 1.958810697485D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jan 27 11:59:48 2022, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 3.97290708D-06-2.40208708D-06-2.94381938D-06
 Polarizability= 6.33545600D+01 1.19950015D-04 6.33541331D+01
                 3.32805358D-04-2.65587195D-04 6.33545491D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0003   -0.0001       -0.0003   -0.0003
 2      0.0003    0.0001        0.0004    0.0003        0.0003   -0.0004
 3      0.0003    0.0003        0.0002    0.0002       -0.0003   -0.0003
 4     -0.0004   -0.0003       -0.0000    0.0000        0.0002    0.0003
 5     -0.0006    0.0002       -0.0002   -0.0003       -0.0003   -0.0001
 6      0.0003    0.0003        0.0003    0.0001       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0004    0.0004       -0.0008   -0.0008
 2     -0.0010   -0.0010        0.0000    0.0000       -0.0008   -0.0008
 3     -0.0010   -0.0010        0.0004    0.0004       -0.0000    0.0000
 4      0.0004    0.0004        0.0010    0.0010       -0.0013   -0.0013
 5      0.0008    0.0008        0.0007    0.0007       -0.0010   -0.0010
 6      0.0006    0.0006       -0.0008   -0.0008       -0.0004   -0.0004
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0009    0.0000       -0.0002    0.0005       -0.0048    0.0010
 2     -0.0055   -0.0005       -0.0030   -0.0014       -0.0130    0.0017
 3      0.0172   -0.0010       -0.0108   -0.0009       -0.0076    0.0014
 4      0.0006    0.0014        0.0028    0.0000       -0.0093   -0.0010
 5     -0.0136   -0.0008        0.0113    0.0010       -0.0034    0.0005
 6      0.0017   -0.0014        0.0120   -0.0005       -0.0039    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0063    0.0000       -0.0024   -0.0008       -0.0086    0.0006
 2     -0.0059    0.0008       -0.0025    0.0017        0.0145    0.0005
 3      0.0055   -0.0006        0.0138   -0.0035        0.0113   -0.0017
 4      0.0100   -0.0017       -0.0048    0.0000        0.0008   -0.0006
 5      0.0115    0.0029       -0.0061    0.0006        0.0184   -0.0008
 6     -0.0014    0.0017        0.0081    0.0008        0.0137    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      2.8193    2.8201        0.9657    0.9536        1.7517    1.7382
 2      2.8172    2.8179        0.9626    0.9553        1.7454    1.7382
 3      2.8216    2.8179        0.9612    0.9536        1.7443    1.7393
 4     -0.0248   -0.0017        0.0009    0.0022        0.0289    0.0005
 5     -0.0121    0.0012        0.0010    0.0005       -0.0179   -0.0022
 6      0.0018   -0.0010       -0.0242   -0.0012        0.0080    0.0017
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.9476   -5.0406   -2.2781   -0.0008   -0.0007    0.0004
 Low frequencies ---  161.4409  205.9336  232.0639
 Diagonal vibrational polarizability:
        0.7232494       0.7231512       0.7231684
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    161.4398               205.9334               232.0638
 Red. masses --      1.6958                 1.8308                 1.4541
 Frc consts  --      0.0260                 0.0457                 0.0461
 IR Inten    --      0.0000                 0.0001                 0.0002
 RamAct Fr= 1--      0.0007                 0.0031                 0.0153
  Dep-P Fr= 1--      0.7493                 0.7482                 0.7498
  Dep-U Fr= 1--      0.8567                 0.8560                 0.8570
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0001                 0.0004                 0.0022
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.0002                -0.0011                 0.0012
 Delta2 Fr= 1--     -0.0004                 0.0023                -0.0038
 Raman1 Fr= 1--       0.003                  0.012                  0.061
 ROA1   Fr= 1--       0.008                 -0.030                 -0.008
 CID1   Fr= 1--       2.707                 -2.407                 -0.125
 Raman2 Fr= 1--       0.001                  0.005                  0.026
 ROA2   Fr= 1--       0.008                 -0.044                  0.059
 CID2   Fr= 1--       6.444                 -8.343                  2.234
 Raman3 Fr= 1--       0.002                  0.011                  0.052
 ROA3   Fr= 1--       0.008                 -0.030                 -0.008
 CID3   Fr= 1--       3.160                 -2.812                 -0.146
 RC180  Fr= 1--       0.713                  0.712                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.00    -0.01  -0.00   0.00    -0.00   0.00  -0.01
     2   6    -0.01   0.01  -0.01    -0.01   0.03   0.01    -0.01   0.00  -0.02
     3   6     0.00  -0.00   0.01     0.00  -0.00  -0.02    -0.04   0.02   0.02
     4   6     0.00  -0.00   0.01    -0.03  -0.03   0.03     0.02   0.00   0.01
     5   6     0.02  -0.00  -0.00     0.01  -0.02  -0.02     0.02  -0.02  -0.03
     6   1    -0.00   0.22   0.10    -0.03  -0.06  -0.03    -0.06  -0.45  -0.24
     7   1    -0.15  -0.01  -0.21     0.08   0.06   0.09     0.31   0.06   0.39
     8   1     0.11  -0.17   0.06    -0.09   0.13  -0.01    -0.26   0.40  -0.19
     9   1     0.29  -0.15  -0.19     0.27  -0.13  -0.21     0.02  -0.01  -0.02
    10   1    -0.19   0.30  -0.12    -0.18   0.26  -0.16    -0.07   0.12   0.01
    11   1    -0.09  -0.15   0.35    -0.07  -0.13   0.28    -0.10  -0.04   0.09
    12   1    -0.17  -0.10   0.04     0.02   0.03   0.03     0.08   0.06   0.01
    13   1     0.05   0.08  -0.16    -0.07  -0.05   0.11     0.01  -0.04   0.07
    14   1     0.13   0.01   0.18    -0.08  -0.07  -0.04    -0.03   0.00  -0.04
    15   1     0.27   0.15  -0.04    -0.34  -0.22   0.00     0.20   0.09  -0.09
    16   1    -0.01  -0.27  -0.13     0.08   0.35   0.19     0.02  -0.24  -0.12
    17   1    -0.20   0.11   0.15     0.34  -0.18  -0.26    -0.13   0.05   0.09
                      4                      5                      6
                      A                      A                      A
 Frequencies --    264.2742               298.8776               307.0615
 Red. masses --      1.0679                 2.5985                 2.3558
 Frc consts  --      0.0439                 0.1368                 0.1309
 IR Inten    --      0.0001                 0.0020                 0.0005
 RamAct Fr= 1--      0.0062                 0.8721                 0.9780
  Dep-P Fr= 1--      0.7488                 0.7500                 0.7499
  Dep-U Fr= 1--      0.8564                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0009                 0.1246                 0.1397
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0003                 0.0059                -0.0011
 Delta2 Fr= 1--     -0.0003                 0.0060                 0.0004
 Raman1 Fr= 1--       0.025                  3.488                  3.912
 ROA1   Fr= 1--      -0.037                  0.759                 -0.094
 CID1   Fr= 1--      -1.491                  0.218                 -0.024
 Raman2 Fr= 1--       0.011                  1.495                  1.677
 ROA2   Fr= 1--      -0.004                  0.094                 -0.030
 CID2   Fr= 1--      -0.388                  0.063                 -0.018
 Raman3 Fr= 1--       0.021                  2.990                  3.353
 ROA3   Fr= 1--      -0.037                  0.759                 -0.094
 CID3   Fr= 1--      -1.741                  0.254                 -0.028
 RC180  Fr= 1--       0.713                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.01   0.02  -0.02    -0.01   0.01   0.01
     2   6    -0.01   0.00  -0.02    -0.01   0.15  -0.01    -0.11  -0.03  -0.13
     3   6     0.00  -0.01   0.02     0.03  -0.09   0.11     0.10  -0.04  -0.07
     4   6     0.01   0.00  -0.00     0.09   0.09  -0.08     0.11   0.03   0.14
     5   6     0.01   0.01   0.00    -0.11  -0.12  -0.05    -0.10   0.04   0.07
     6   1    -0.03   0.09   0.03    -0.07   0.20   0.04    -0.29  -0.22  -0.16
     7   1    -0.09  -0.01  -0.12     0.10   0.25  -0.10    -0.08  -0.04  -0.06
     8   1     0.05  -0.08  -0.01    -0.09   0.19   0.05    -0.10   0.11  -0.35
     9   1     0.02  -0.05  -0.01    -0.11  -0.29   0.08     0.18  -0.08  -0.12
    10   1    -0.01   0.03   0.02     0.12  -0.08   0.24     0.04  -0.17  -0.19
    11   1    -0.00  -0.03   0.07     0.10  -0.09   0.24     0.26   0.03  -0.03
    12   1     0.49   0.29  -0.06     0.12   0.05  -0.11     0.06   0.16   0.24
    13   1    -0.12  -0.22   0.49     0.17   0.07  -0.17     0.23  -0.09   0.14
    14   1    -0.33  -0.05  -0.43     0.10   0.23  -0.03     0.17   0.05   0.22
    15   1     0.08   0.05  -0.00    -0.29  -0.20  -0.12    -0.11   0.00   0.20
    16   1     0.01  -0.06  -0.03    -0.21  -0.05  -0.14    -0.19   0.15  -0.00
    17   1    -0.05   0.05   0.03    -0.02  -0.33   0.08    -0.14   0.06   0.11
                      7                      8                      9
                      A                      A                      A
 Frequencies --    370.4624               386.2154               388.0059
 Red. masses --      2.5803                 2.3537                 2.3141
 Frc consts  --      0.2086                 0.2069                 0.2053
 IR Inten    --      0.0345                 0.0441                 0.0599
 RamAct Fr= 1--      0.1729                 0.2319                 0.2216
  Dep-P Fr= 1--      0.7425                 0.7197                 0.7285
  Dep-U Fr= 1--      0.8522                 0.8370                 0.8429
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0001
 Beta2  Fr= 1--      0.0246                 0.0324                 0.0311
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0066                -0.0127                 0.0100
 Delta2 Fr= 1--     -0.0043                 0.0017                -0.0058
 Raman1 Fr= 1--       0.691                  0.928                  0.886
 ROA1   Fr= 1--      -0.776                 -1.164                  0.776
 CID1   Fr= 1--      -1.122                 -1.255                  0.876
 Raman2 Fr= 1--       0.295                  0.388                  0.374
 ROA2   Fr= 1--      -0.125                 -0.318                  0.286
 CID2   Fr= 1--      -0.425                 -0.818                  0.766
 Raman3 Fr= 1--       0.589                  0.777                  0.747
 ROA3   Fr= 1--      -0.776                 -1.164                  0.776
 CID3   Fr= 1--      -1.317                 -1.499                  1.039
 RC180  Fr= 1--       0.704                  0.674                  0.686
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10   0.10   0.07    -0.00   0.10  -0.11    -0.11  -0.07  -0.05
     2   6    -0.07  -0.09   0.07     0.13  -0.06  -0.02    -0.01   0.04   0.12
     3   6     0.07  -0.01  -0.01     0.01  -0.02   0.04    -0.10  -0.12  -0.07
     4   6    -0.05   0.17  -0.02    -0.07  -0.00   0.14     0.13   0.03   0.03
     5   6     0.06  -0.06  -0.08    -0.06   0.06  -0.14     0.02   0.07  -0.05
     6   1     0.02  -0.15   0.00     0.37  -0.04  -0.10     0.15   0.19   0.14
     7   1    -0.23  -0.22   0.22     0.00  -0.18   0.14     0.09   0.11   0.09
     8   1     0.03  -0.15   0.01     0.20  -0.18   0.07    -0.12  -0.02   0.37
     9   1     0.13  -0.11  -0.08    -0.15  -0.24  -0.00    -0.12  -0.17  -0.09
    10   1     0.02  -0.21  -0.14     0.12   0.01   0.19    -0.10  -0.17  -0.09
    11   1     0.33   0.10   0.07     0.07  -0.03   0.18    -0.05  -0.10  -0.05
    12   1     0.02   0.12  -0.08    -0.22   0.17   0.31     0.18   0.19   0.10
    13   1    -0.02   0.18  -0.07    -0.09  -0.06   0.25     0.37  -0.17  -0.01
    14   1    -0.10   0.31  -0.03     0.03  -0.26   0.19     0.16   0.22   0.12
    15   1     0.05   0.02  -0.39    -0.11   0.04  -0.13     0.16   0.13   0.02
    16   1     0.21  -0.27   0.03    -0.12   0.10  -0.19     0.14   0.04   0.08
    17   1     0.16  -0.16  -0.08    -0.06   0.02  -0.10    -0.04   0.28  -0.23
                     10                     11                     12
                      A                      A                      A
 Frequencies --    684.1715               749.8761               763.0077
 Red. masses --      3.3550                 2.4845                 2.5256
 Frc consts  --      0.9253                 0.8231                 0.8663
 IR Inten    --      0.0188                 0.1611                 0.2552
 RamAct Fr= 1--     14.5281                 0.9329                 1.3688
  Dep-P Fr= 1--      0.0020                 0.7468                 0.6854
  Dep-U Fr= 1--      0.0039                 0.8551                 0.8134
 Alpha2 Fr= 1--      0.3214                 0.0001                 0.0016
 Beta2  Fr= 1--      0.0095                 0.1330                 0.1856
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--      0.0067                -0.0008                 0.2400
 Delta2 Fr= 1--      0.0070                -0.0004                 0.2752
 Raman1 Fr= 1--      58.112                  3.732                  5.475
 ROA1   Fr= 1--       0.871                 -0.092                 31.850
 CID1   Fr= 1--       0.015                 -0.025                  5.817
 Raman2 Fr= 1--       0.114                  1.595                  2.227
 ROA2   Fr= 1--       0.106                 -0.016                  3.559
 CID2   Fr= 1--       0.932                 -0.010                  1.598
 Raman3 Fr= 1--       0.228                  3.191                  4.453
 ROA3   Fr= 1--       0.871                 -0.092                 31.850
 CID3   Fr= 1--       3.814                 -0.029                  7.152
 RC180  Fr= 1--      -0.992                  0.710                  0.627
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.04  -0.00    -0.04  -0.02  -0.01    -0.03  -0.03   0.04
     2   6     0.17   0.01  -0.13     0.05  -0.04  -0.03     0.06  -0.07  -0.05
     3   6    -0.13  -0.10  -0.09     0.01   0.14  -0.02    -0.08   0.01   0.17
     4   6    -0.10   0.17   0.05     0.00  -0.02  -0.01    -0.00   0.00   0.01
     5   6     0.06  -0.04   0.17    -0.12  -0.09   0.05    -0.02   0.03  -0.08
     6   1     0.17   0.02  -0.13    -0.10  -0.03   0.03     0.10   0.10   0.02
     7   1     0.24   0.06  -0.20     0.20   0.10  -0.21     0.38   0.16  -0.25
     8   1     0.17   0.03  -0.16    -0.01   0.06  -0.09    -0.10  -0.02   0.14
     9   1    -0.19  -0.22  -0.13    -0.15  -0.18  -0.11     0.32   0.24   0.12
    10   1    -0.17  -0.19  -0.16     0.17   0.07   0.15    -0.34  -0.34  -0.28
    11   1    -0.16  -0.12  -0.10     0.29   0.21   0.24     0.25   0.22   0.07
    12   1    -0.15   0.21   0.10    -0.03  -0.05  -0.01    -0.02  -0.04  -0.01
    13   1    -0.14   0.19   0.09    -0.04   0.02   0.00    -0.07   0.05   0.03
    14   1    -0.08   0.10   0.06     0.01  -0.07  -0.02    -0.02  -0.06  -0.03
    15   1     0.03  -0.04   0.09     0.11   0.03   0.05    -0.05   0.03  -0.11
    16   1     0.12  -0.14   0.23     0.24  -0.20   0.44    -0.07   0.04  -0.14
    17   1     0.12  -0.19   0.30    -0.13   0.24  -0.36    -0.02   0.03  -0.08
                     13                     14                     15
                      A                      A                      A
 Frequencies --    796.5134               854.3383               871.1233
 Red. masses --      2.6671                 2.1357                 2.3325
 Frc consts  --      0.9970                 0.9184                 1.0429
 IR Inten    --      0.2442                 0.3043                 0.0422
 RamAct Fr= 1--      2.3012                 2.0913                 2.2617
  Dep-P Fr= 1--      0.6926                 0.4636                 0.5260
  Dep-U Fr= 1--      0.8184                 0.6335                 0.6894
 Alpha2 Fr= 1--      0.0023                 0.0121                 0.0098
 Beta2  Fr= 1--      0.3139                 0.2208                 0.2599
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--     -0.3241                -0.1669                -0.0208
 Delta2 Fr= 1--     -0.3907                -0.2433                 0.0246
 Raman1 Fr= 1--       9.205                  8.365                  9.047
 ROA1   Fr= 1--     -43.616                -23.810                 -1.204
 CID1   Fr= 1--      -4.738                 -2.846                 -0.133
 Raman2 Fr= 1--       3.766                  2.650                  3.118
 ROA2   Fr= 1--      -4.653                 -2.059                 -0.695
 CID2   Fr= 1--      -1.235                 -0.777                 -0.223
 Raman3 Fr= 1--       7.533                  5.299                  6.237
 ROA3   Fr= 1--     -43.616                -23.810                 -1.204
 CID3   Fr= 1--      -5.790                 -4.493                 -0.193
 RC180  Fr= 1--       0.637                  0.267                  0.379
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.06   0.01     0.07  -0.06   0.05     0.00   0.02   0.05
     2   6     0.03  -0.05  -0.00    -0.01  -0.04   0.04     0.11   0.18  -0.09
     3   6     0.15  -0.11   0.03    -0.02   0.02  -0.04    -0.03  -0.04   0.07
     4   6    -0.09   0.13   0.04    -0.04   0.12   0.08     0.01  -0.05   0.02
     5   6    -0.10  -0.01  -0.05     0.10  -0.13  -0.06    -0.06  -0.09  -0.01
     6   1    -0.11  -0.04   0.05    -0.11  -0.04   0.08     0.21  -0.03  -0.24
     7   1     0.14   0.07  -0.18     0.05   0.03  -0.06    -0.35  -0.20   0.27
     8   1     0.00   0.03  -0.07    -0.02   0.01  -0.02     0.36   0.03  -0.26
     9   1     0.24   0.32   0.22    -0.10  -0.13  -0.08     0.10   0.09   0.08
    10   1     0.13   0.22   0.12     0.03  -0.02   0.01    -0.17  -0.15  -0.13
    11   1    -0.33  -0.29  -0.23     0.00   0.01   0.03    -0.05  -0.03  -0.03
    12   1    -0.06   0.25   0.09     0.05  -0.18  -0.13     0.16  -0.20  -0.13
    13   1     0.05   0.01   0.02    -0.22   0.36  -0.02     0.04   0.02  -0.10
    14   1    -0.06   0.25   0.11    -0.18   0.21  -0.06    -0.08   0.18  -0.03
    15   1    -0.02   0.05  -0.12     0.17  -0.20   0.39     0.06  -0.05   0.10
    16   1     0.07  -0.10   0.11    -0.20   0.33  -0.26     0.04  -0.00   0.13
    17   1    -0.06   0.12  -0.28    -0.19   0.25  -0.15    -0.15   0.20  -0.26
                     16                     17                     18
                      A                      A                      A
 Frequencies --    902.1500               982.4401              1032.3272
 Red. masses --      1.8949                 1.6462                 1.5172
 Frc consts  --      0.9087                 0.9362                 0.9526
 IR Inten    --      0.7231                 0.0649                 0.1280
 RamAct Fr= 1--      3.9304                 2.4326                 0.5779
  Dep-P Fr= 1--      0.6195                 0.7484                 0.6545
  Dep-U Fr= 1--      0.7650                 0.8561                 0.7912
 Alpha2 Fr= 1--      0.0094                 0.0001                 0.0010
 Beta2  Fr= 1--      0.5012                 0.3471                 0.0762
 AlphaG Fr= 1--     -0.0001                 0.0000                 0.0001
 Gamma2 Fr= 1--      0.3560                -0.1003                 0.0177
 Delta2 Fr= 1--      0.4737                -0.1013                 0.0112
 Raman1 Fr= 1--      15.722                  9.731                  2.311
 ROA1   Fr= 1--      49.338                -12.869                  2.058
 CID1   Fr= 1--       3.138                 -1.323                  0.890
 Raman2 Fr= 1--       6.014                  4.165                  0.914
 ROA2   Fr= 1--       4.756                 -1.597                  0.335
 CID2   Fr= 1--       0.791                 -0.383                  0.367
 Raman3 Fr= 1--      12.028                  8.331                  1.829
 ROA3   Fr= 1--      49.338                -12.869                  2.058
 CID3   Fr= 1--       4.102                 -1.545                  1.125
 RC180  Fr= 1--       0.530                  0.712                  0.582
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.05  -0.11    -0.08  -0.04   0.08    -0.00  -0.01  -0.03
     2   6    -0.05   0.02  -0.10     0.07  -0.01  -0.02     0.08   0.02   0.10
     3   6     0.04   0.03   0.03     0.00   0.03  -0.05    -0.03   0.01   0.02
     4   6    -0.07   0.02  -0.02    -0.08  -0.09   0.07    -0.07   0.01  -0.10
     5   6     0.08  -0.10   0.06     0.02   0.07  -0.02     0.05  -0.05   0.00
     6   1     0.44   0.20  -0.20     0.01  -0.06  -0.03    -0.32  -0.23   0.12
     7   1     0.04  -0.02   0.17     0.09   0.02  -0.12    -0.14  -0.03  -0.12
     8   1    -0.16  -0.18   0.34     0.12   0.03  -0.14     0.16   0.21  -0.31
     9   1     0.13   0.15   0.06    -0.09  -0.02  -0.03    -0.01   0.05   0.03
    10   1     0.07   0.11   0.10     0.08   0.09   0.07    -0.07  -0.04  -0.04
    11   1     0.15   0.09   0.06     0.07   0.03   0.08     0.09   0.06   0.08
    12   1    -0.02   0.24   0.08     0.32  -0.16  -0.16    -0.16   0.47   0.21
    13   1     0.18  -0.21  -0.04     0.29  -0.23  -0.24     0.23  -0.38   0.03
    14   1    -0.02   0.19   0.09    -0.21   0.62   0.11     0.14  -0.02   0.15
    15   1     0.10  -0.15   0.32    -0.06   0.05  -0.11     0.06  -0.06   0.09
    16   1     0.00   0.10   0.05    -0.06   0.02  -0.13    -0.04   0.09  -0.07
    17   1    -0.06   0.01   0.13     0.09  -0.08   0.09    -0.03   0.04   0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1075.9332              1078.4908              1083.7628
 Red. masses --      2.2166                 2.1767                 2.3224
 Frc consts  --      1.5119                 1.4917                 1.6071
 IR Inten    --      2.5031                 3.7191                 5.0297
 RamAct Fr= 1--      1.5482                 1.5703                 1.2158
  Dep-P Fr= 1--      0.7364                 0.7491                 0.6777
  Dep-U Fr= 1--      0.8482                 0.8566                 0.8079
 Alpha2 Fr= 1--      0.0004                 0.0000                 0.0016
 Beta2  Fr= 1--      0.2189                 0.2242                 0.1637
 AlphaG Fr= 1--     -0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--     -0.1011                 0.0461                 0.1639
 Delta2 Fr= 1--     -0.0743                -0.0531                 0.1361
 Raman1 Fr= 1--       6.193                  6.281                  4.863
 ROA1   Fr= 1--     -12.081                  2.725                 20.086
 CID1   Fr= 1--      -1.951                  0.434                  4.130
 Raman2 Fr= 1--       2.626                  2.690                  1.964
 ROA2   Fr= 1--      -1.831                  1.531                  2.844
 CID2   Fr= 1--      -0.697                  0.569                  1.448
 Raman3 Fr= 1--       5.253                  5.380                  3.929
 ROA3   Fr= 1--     -12.081                  2.725                 20.086
 CID3   Fr= 1--      -2.300                  0.507                  5.112
 RC180  Fr= 1--       0.696                  0.713                  0.616
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.01    -0.00  -0.00   0.01    -0.02   0.03  -0.01
     2   6     0.02   0.00   0.02    -0.01  -0.00  -0.01     0.01  -0.01   0.03
     3   6    -0.09   0.05  -0.03     0.06   0.02  -0.12     0.02  -0.10  -0.01
     4   6     0.00  -0.00   0.01     0.01   0.01  -0.00     0.03  -0.01   0.02
     5   6    -0.00   0.00  -0.09     0.00   0.00   0.01    -0.00  -0.02  -0.14
     6   1    -0.05  -0.04   0.02     0.04   0.02  -0.02    -0.07  -0.06   0.03
     7   1    -0.02  -0.00  -0.03     0.01   0.00   0.01     0.01   0.01  -0.06
     8   1     0.02   0.05  -0.05    -0.03  -0.02   0.04     0.02   0.03  -0.05
     9   1     0.44   0.11  -0.24    -0.31   0.42   0.26    -0.20   0.11   0.19
    10   1     0.33  -0.41   0.33     0.06  -0.28  -0.22    -0.18   0.34  -0.10
    11   1    -0.23  -0.07   0.12    -0.08  -0.28   0.65     0.27   0.03  -0.02
    12   1     0.02  -0.05  -0.02    -0.02   0.00   0.01     0.04  -0.13  -0.06
    13   1    -0.01   0.03  -0.02    -0.03   0.04   0.01    -0.06   0.10  -0.01
    14   1    -0.02   0.01  -0.02     0.01  -0.05  -0.02    -0.03  -0.02  -0.05
    15   1     0.01  -0.00  -0.03     0.02   0.01   0.01     0.02  -0.03  -0.03
    16   1     0.19   0.18   0.20    -0.02  -0.01  -0.02     0.31   0.30   0.33
    17   1    -0.19  -0.08   0.27     0.02  -0.00  -0.02    -0.34  -0.09   0.41
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1096.4590              1190.3115              1232.0197
 Red. masses --      2.6612                 3.2893                 2.5992
 Frc consts  --      1.8850                 2.7459                 2.3245
 IR Inten    --      0.7895                 1.7066                 7.1295
 RamAct Fr= 1--      1.3922                 7.1915                 7.5739
  Dep-P Fr= 1--      0.0935                 0.7337                 0.7475
  Dep-U Fr= 1--      0.1709                 0.8464                 0.8555
 Alpha2 Fr= 1--      0.0248                 0.0020                 0.0003
 Beta2  Fr= 1--      0.0397                 1.0145                 1.0799
 AlphaG Fr= 1--      0.0001                -0.0000                -0.0001
 Gamma2 Fr= 1--     -0.0477                 0.0860                -0.3167
 Delta2 Fr= 1--     -0.0774                 0.0565                -0.1094
 Raman1 Fr= 1--       5.569                 28.766                 30.296
 ROA1   Fr= 1--      -7.058                 10.067                -33.902
 CID1   Fr= 1--      -1.267                  0.350                 -1.119
 Raman2 Fr= 1--       0.476                 12.174                 12.959
 ROA2   Fr= 1--      -0.526                  1.612                 -6.725
 CID2   Fr= 1--      -1.105                  0.132                 -0.519
 Raman3 Fr= 1--       0.952                 24.348                 25.918
 ROA3   Fr= 1--      -7.058                 10.067                -33.902
 CID3   Fr= 1--      -7.415                  0.413                 -1.308
 RC180  Fr= 1--      -0.658                  0.693                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.07  -0.03    -0.17   0.22   0.21     0.20  -0.10   0.19
     2   6     0.03   0.04   0.02    -0.02  -0.03  -0.03    -0.05   0.01  -0.11
     3   6    -0.17  -0.16  -0.11    -0.02  -0.08  -0.07    -0.07  -0.01  -0.06
     4   6     0.04   0.05   0.03     0.07  -0.06  -0.09    -0.07   0.02  -0.07
     5   6    -0.00   0.05   0.05     0.09  -0.12   0.06    -0.04   0.03  -0.06
     6   1    -0.04  -0.06  -0.01     0.27   0.06  -0.11    -0.16   0.39   0.17
     7   1    -0.10  -0.03   0.01     0.23   0.13  -0.08     0.16  -0.02   0.36
     8   1     0.08   0.07  -0.11     0.19  -0.15  -0.16     0.17  -0.33   0.08
     9   1     0.20   0.39   0.00     0.06   0.08  -0.03    -0.07  -0.02  -0.06
    10   1     0.09   0.26   0.36     0.11   0.10   0.16    -0.00   0.03   0.05
    11   1     0.45   0.10   0.13    -0.04  -0.10  -0.06     0.12   0.05   0.05
    12   1    -0.06  -0.10  -0.01    -0.09   0.03   0.05    -0.09   0.35   0.14
    13   1    -0.20   0.25   0.07     0.04  -0.16   0.08     0.09  -0.21   0.07
    14   1    -0.02  -0.09  -0.08     0.17  -0.31  -0.02     0.11   0.06   0.17
    15   1    -0.00   0.03   0.07    -0.04  -0.04  -0.40    -0.07   0.06  -0.24
    16   1    -0.11  -0.16  -0.14    -0.17   0.23  -0.12     0.06   0.05   0.05
    17   1     0.19  -0.03  -0.12    -0.13   0.23  -0.09    -0.09   0.02  -0.00
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1251.1978              1311.3379              1322.8001
 Red. masses --      3.9400                 1.2760                 1.3327
 Frc consts  --      3.6341                 1.2927                 1.3739
 IR Inten    --      5.2446                 5.5516                 6.5842
 RamAct Fr= 1--      9.3742                 1.6687                 2.8343
  Dep-P Fr= 1--      0.7471                 0.6467                 0.7377
  Dep-U Fr= 1--      0.8552                 0.7855                 0.8490
 Alpha2 Fr= 1--      0.0005                 0.0031                 0.0006
 Beta2  Fr= 1--      1.3362                 0.2184                 0.4011
 AlphaG Fr= 1--     -0.0000                 0.0001                 0.0001
 Gamma2 Fr= 1--     -0.0712                 0.1113                 0.8701
 Delta2 Fr= 1--     -0.0320                -0.1304                 0.6341
 Raman1 Fr= 1--      37.497                  6.675                 11.337
 ROA1   Fr= 1--      -7.860                  6.514                103.815
 CID1   Fr= 1--      -0.210                  0.976                  9.157
 Raman2 Fr= 1--      16.034                  2.621                  4.813
 ROA2   Fr= 1--      -1.453                  3.715                 15.809
 CID2   Fr= 1--      -0.091                  1.417                  3.285
 Raman3 Fr= 1--      32.068                  5.243                  9.626
 ROA3   Fr= 1--      -7.860                  6.514                103.815
 CID3   Fr= 1--      -0.245                  1.242                 10.785
 RC180  Fr= 1--       0.710                  0.571                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.24   0.32  -0.16    -0.04   0.01   0.01     0.06  -0.05   0.02
     2   6    -0.11  -0.09   0.06    -0.07   0.01   0.03    -0.07   0.03   0.05
     3   6    -0.09  -0.09  -0.01     0.01   0.00   0.01    -0.01   0.01   0.00
     4   6    -0.09  -0.10   0.06     0.01   0.02  -0.01    -0.01   0.02  -0.01
     5   6    -0.04  -0.07   0.05    -0.01   0.04  -0.07    -0.06  -0.02   0.01
     6   1    -0.08   0.09   0.15     0.08  -0.00  -0.03     0.43  -0.28  -0.32
     7   1     0.16   0.09  -0.00     0.18   0.15   0.06    -0.03   0.11  -0.15
     8   1    -0.03  -0.11  -0.00     0.48  -0.29  -0.34     0.11  -0.08  -0.07
     9   1     0.09   0.16   0.02     0.01  -0.01   0.01    -0.02  -0.02  -0.01
    10   1    -0.09  -0.07   0.01     0.00  -0.01  -0.01    -0.01  -0.00  -0.01
    11   1     0.06  -0.03   0.03    -0.03  -0.01  -0.01     0.02   0.02   0.00
    12   1     0.37  -0.01  -0.11    -0.01  -0.05  -0.03    -0.01   0.03   0.01
    13   1     0.27  -0.17  -0.32     0.04  -0.06   0.02     0.01  -0.02   0.02
    14   1    -0.13   0.38   0.12     0.04  -0.13  -0.01     0.02   0.00   0.02
    15   1     0.14   0.01   0.13     0.04  -0.13   0.63     0.54   0.37  -0.20
    16   1     0.01  -0.07   0.10     0.08  -0.15  -0.03    -0.08   0.20   0.05
    17   1     0.01   0.05  -0.15     0.07  -0.10  -0.00     0.09  -0.16  -0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1327.9636              1342.5782              1412.9236
 Red. masses --      1.3561                 1.4997                 1.2398
 Frc consts  --      1.4090                 1.5927                 1.4582
 IR Inten    --      2.9019                 0.8889                 4.0099
 RamAct Fr= 1--      2.6409                 3.4743                 0.0484
  Dep-P Fr= 1--      0.7458                 0.7498                 0.7124
  Dep-U Fr= 1--      0.8544                 0.8570                 0.8320
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0000
 Beta2  Fr= 1--      0.3761                 0.4963                 0.0067
 AlphaG Fr= 1--     -0.0001                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.3192                -0.4219                -0.0004
 Delta2 Fr= 1--     -0.1488                -0.2467                -0.0025
 Raman1 Fr= 1--      10.564                 13.897                  0.194
 ROA1   Fr= 1--     -35.409                -48.396                 -0.118
 CID1   Fr= 1--      -3.352                 -3.482                 -0.608
 Raman2 Fr= 1--       4.513                  5.955                  0.081
 ROA2   Fr= 1--      -6.471                 -8.152                  0.010
 CID2   Fr= 1--      -1.434                 -1.369                  0.121
 Raman3 Fr= 1--       9.025                 11.910                  0.161
 ROA3   Fr= 1--     -35.409                -48.396                 -0.118
 CID3   Fr= 1--      -3.923                 -4.063                 -0.731
 RC180  Fr= 1--       0.709                  0.714                  0.664
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.05   0.02     0.05   0.06   0.14    -0.01   0.02   0.01
     2   6     0.07  -0.02  -0.06     0.02  -0.01  -0.01    -0.01  -0.00   0.01
     3   6     0.01  -0.01   0.00    -0.02  -0.02  -0.03     0.00   0.00   0.00
     4   6     0.02  -0.01  -0.01    -0.02  -0.00  -0.04     0.07  -0.12  -0.04
     5   6    -0.05  -0.02  -0.02    -0.02   0.03  -0.07    -0.00   0.00  -0.01
     6   1    -0.36   0.26   0.27     0.31  -0.15  -0.21     0.03  -0.03  -0.02
     7   1     0.02  -0.11   0.13    -0.16  -0.06  -0.20     0.02   0.02  -0.02
     8   1    -0.13   0.09   0.08    -0.45   0.27   0.30     0.03  -0.03  -0.01
     9   1     0.01   0.00   0.00    -0.02  -0.01  -0.03     0.00  -0.01   0.00
    10   1     0.01   0.02   0.01     0.01   0.03   0.03     0.00  -0.00  -0.01
    11   1    -0.02  -0.02  -0.02     0.01  -0.01  -0.01    -0.02  -0.00  -0.01
    12   1    -0.04  -0.05  -0.00     0.04   0.06  -0.02    -0.19   0.40   0.35
    13   1     0.01  -0.04   0.03     0.04  -0.14   0.07    -0.44   0.35   0.05
    14   1     0.00  -0.03  -0.03     0.13  -0.05   0.13    -0.09   0.56   0.00
    15   1     0.63   0.27   0.27    -0.03  -0.14   0.50     0.02  -0.01   0.11
    16   1    -0.08   0.13  -0.01     0.08  -0.13  -0.02     0.02  -0.02  -0.00
    17   1     0.15  -0.21  -0.04     0.01  -0.04  -0.04     0.01  -0.02  -0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1475.5870              1498.7484              1498.9129
 Red. masses --      1.0817                 1.0518                 1.0549
 Frc consts  --      1.3877                 1.3920                 1.3964
 IR Inten    --      4.3901                 6.3587                 4.9512
 RamAct Fr= 1--      1.6650                 4.2793                 3.2159
  Dep-P Fr= 1--      0.7437                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8530                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0000
 Beta2  Fr= 1--      0.2367                 0.6113                 0.4594
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.0156                -0.0031                 0.0088
 Delta2 Fr= 1--     -0.0021                 0.0009                -0.0004
 Raman1 Fr= 1--       6.660                 17.117                 12.864
 ROA1   Fr= 1--       1.431                 -0.275                  0.831
 CID1   Fr= 1--       0.215                 -0.016                  0.065
 Raman2 Fr= 1--       2.841                  7.336                  5.513
 ROA2   Fr= 1--       0.391                 -0.082                  0.215
 CID2   Fr= 1--       0.138                 -0.011                  0.039
 Raman3 Fr= 1--       5.681                 14.672                 11.026
 ROA3   Fr= 1--       1.431                 -0.275                  0.831
 CID3   Fr= 1--       0.252                 -0.019                  0.075
 RC180  Fr= 1--       0.706                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02  -0.01    -0.02  -0.02   0.01    -0.02  -0.00  -0.03
     2   6    -0.03  -0.06   0.03     0.00  -0.01   0.00     0.00   0.00   0.00
     3   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4   6     0.01   0.01  -0.00    -0.04  -0.03   0.02    -0.03  -0.00  -0.04
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
     6   1     0.42   0.53   0.14     0.07   0.10   0.03    -0.05   0.00   0.02
     7   1    -0.03  -0.06   0.03    -0.01  -0.02   0.01     0.01   0.00   0.02
     8   1    -0.10   0.44  -0.52    -0.01   0.08  -0.10     0.04  -0.03  -0.02
     9   1    -0.01  -0.01   0.01     0.00  -0.01   0.00     0.01   0.01   0.01
    10   1    -0.01  -0.00  -0.01     0.01   0.01   0.00     0.00  -0.01  -0.01
    11   1     0.00   0.01   0.00    -0.00   0.00  -0.01    -0.01  -0.00   0.00
    12   1    -0.09  -0.07  -0.00     0.51   0.43   0.02     0.34  -0.13  -0.26
    13   1    -0.01  -0.05   0.10    -0.07   0.37  -0.46    -0.35   0.01   0.41
    14   1    -0.02   0.08  -0.00     0.13  -0.37   0.09     0.42   0.14   0.55
    15   1    -0.01   0.00  -0.03     0.03   0.02   0.01     0.00   0.01  -0.04
    16   1     0.01   0.00   0.01    -0.01   0.01  -0.01    -0.01   0.01   0.00
    17   1    -0.01  -0.00   0.01     0.01  -0.02   0.00     0.00   0.00   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   2169.9748              2206.9397              2244.6468
 Red. masses --      2.1312                 2.1898                 2.2675
 Frc consts  --      5.9128                 6.2839                 6.7312
 IR Inten    --     15.1373                14.0665                14.6041
 RamAct Fr= 1--     69.8536                74.5458                55.1742
  Dep-P Fr= 1--      0.0009                 0.0540                 0.1619
  Dep-U Fr= 1--      0.0018                 0.1025                 0.2786
 Alpha2 Fr= 1--      1.5490                 1.4584                 0.8275
 Beta2  Fr= 1--      0.0214                 1.2738                 2.5622
 AlphaG Fr= 1--      0.0000                -0.0001                -0.0001
 Gamma2 Fr= 1--     -0.0330                 0.0515                 0.0160
 Delta2 Fr= 1--     -0.0307                 0.0529                 0.0134
 Raman1 Fr= 1--     279.414                298.183                220.697
 ROA1   Fr= 1--      -4.155                  6.638                  1.969
 CID1   Fr= 1--      -0.015                  0.022                  0.009
 Raman2 Fr= 1--       0.256                 15.285                 30.746
 ROA2   Fr= 1--      -0.547                  0.814                  0.278
 CID2   Fr= 1--      -2.134                  0.053                  0.009
 Raman3 Fr= 1--       0.512                 30.571                 61.492
 ROA3   Fr= 1--      -4.155                  6.638                  1.969
 CID3   Fr= 1--      -8.108                  0.217                  0.032
 RC180  Fr= 1--      -0.996                 -0.795                 -0.443
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.08  -0.13  -0.05
     3   6    -0.07  -0.07  -0.05    -0.00  -0.01  -0.00    -0.01   0.00  -0.00
     4   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.00  -0.00  -0.01    -0.01   0.04   0.13     0.00   0.00   0.00
     6   1    -0.00   0.00  -0.00    -0.01   0.00  -0.00     0.03  -0.04   0.06
     7   1     0.01  -0.02  -0.00     0.01  -0.02  -0.01    -0.47   0.82   0.26
     8   1    -0.00   0.00   0.01     0.00   0.00   0.01    -0.05  -0.05  -0.03
     9   1     0.21  -0.25   0.47     0.01  -0.01   0.02     0.01  -0.01   0.02
    10   1     0.44   0.13  -0.35     0.03   0.01  -0.02     0.02   0.01  -0.01
    11   1    -0.26   0.49   0.15    -0.02   0.04   0.01     0.01  -0.01  -0.00
    12   1    -0.00  -0.00  -0.00     0.00  -0.01  -0.01    -0.00  -0.00  -0.00
    13   1     0.01  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    14   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   1     0.00  -0.01  -0.00    -0.05   0.09   0.03     0.00   0.00  -0.01
    16   1    -0.03  -0.01   0.03     0.52   0.15  -0.44     0.01   0.00  -0.01
    17   1     0.03   0.03   0.02    -0.45  -0.42  -0.32    -0.01  -0.01  -0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --   2283.1995              2284.5341              2285.8565
 Red. masses --      2.3739                 2.3766                 2.3788
 Frc consts  --      7.2912                 7.3082                 7.3234
 IR Inten    --      7.5752                16.9697                24.4684
 RamAct Fr= 1--     15.5298                33.7362                49.0431
  Dep-P Fr= 1--      0.7500                 0.7497                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8570                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      2.2185                 4.8185                 7.0061
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--      1.1443                -0.2692                -0.9445
 Delta2 Fr= 1--      1.0479                -0.2480                -0.8677
 Raman1 Fr= 1--      62.119                134.945                196.172
 ROA1   Fr= 1--     143.389                -33.776               -118.439
 CID1   Fr= 1--       2.308                 -0.250                 -0.604
 Raman2 Fr= 1--      26.622                 57.822                 84.073
 ROA2   Fr= 1--      19.081                 -4.476                -15.727
 CID2   Fr= 1--       0.717                 -0.077                 -0.187
 Raman3 Fr= 1--      53.245                115.644                168.146
 ROA3   Fr= 1--     143.389                -33.776               -118.439
 CID3   Fr= 1--       2.693                 -0.292                 -0.704
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.04  -0.04   0.12     0.13  -0.14  -0.00    -0.04  -0.05   0.12
     4   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   6     0.11   0.07  -0.01     0.00   0.00  -0.00    -0.12  -0.07   0.01
     6   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01   0.00  -0.00
     7   1     0.00  -0.00  -0.00    -0.02   0.02   0.01    -0.00   0.00   0.00
     8   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.01
     9   1    -0.17   0.20  -0.38    -0.17   0.20  -0.39    -0.17   0.20  -0.38
    10   1     0.39   0.11  -0.32    -0.25  -0.08   0.20     0.39   0.11  -0.31
    11   1     0.03  -0.05  -0.01    -0.36   0.68   0.21     0.02  -0.04  -0.01
    12   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    13   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    14   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.01   0.00
    15   1     0.01   0.00  -0.00    -0.00  -0.00  -0.01    -0.01  -0.00   0.00
    16   1    -0.37  -0.10   0.31    -0.01  -0.00   0.01     0.36   0.11  -0.31
    17   1    -0.32  -0.30  -0.23    -0.00   0.00   0.00     0.32   0.30   0.23
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3021.1822              3044.4927              3064.3944
 Red. masses --      1.0345                 1.0600                 1.0829
 Frc consts  --      5.5634                 5.7887                 5.9914
 IR Inten    --     29.3788                32.2410                31.3264
 RamAct Fr= 1--    135.1810               155.2463                97.0098
  Dep-P Fr= 1--      0.0004                 0.0633                 0.2121
  Dep-U Fr= 1--      0.0008                 0.1190                 0.3499
 Alpha2 Fr= 1--      3.0014                 2.9708                 1.2757
 Beta2  Fr= 1--      0.0171                 3.0800                 5.6575
 AlphaG Fr= 1--     -0.0003                 0.0002                 0.0002
 Gamma2 Fr= 1--     -0.0014                -0.0051                 0.4503
 Delta2 Fr= 1--     -0.0010                -0.0067                 0.4133
 Raman1 Fr= 1--     540.724                620.985                388.039
 ROA1   Fr= 1--      -0.164                 -0.699                 56.455
 CID1   Fr= 1--      -0.000                 -0.001                  0.145
 Raman2 Fr= 1--       0.206                 36.960                 67.890
 ROA2   Fr= 1--      -0.026                 -0.068                  7.501
 CID2   Fr= 1--      -0.125                 -0.002                  0.110
 Raman3 Fr= 1--       0.411                 73.919                135.781
 ROA3   Fr= 1--      -0.164                 -0.699                 56.455
 CID3   Fr= 1--      -0.399                 -0.009                  0.416
 RC180  Fr= 1--      -0.998                 -0.762                 -0.300
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.01   0.00     0.02   0.06  -0.02     0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.02   0.04   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.04  -0.07  -0.02
     6   1    -0.03   0.03  -0.06     0.25  -0.30   0.58    -0.00   0.00  -0.00
     7   1    -0.00   0.00   0.00     0.01  -0.01  -0.01    -0.00   0.00   0.00
     8   1     0.05   0.05   0.03    -0.46  -0.42  -0.32    -0.01  -0.01  -0.01
     9   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    10   1     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    11   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    12   1     0.21  -0.25   0.47     0.02  -0.02   0.04    -0.01   0.01  -0.01
    13   1    -0.37  -0.35  -0.26    -0.03  -0.03  -0.02    -0.02  -0.02  -0.02
    14   1     0.43   0.12  -0.35     0.06   0.02  -0.05     0.03   0.01  -0.02
    15   1     0.01  -0.02  -0.01     0.00  -0.01  -0.00    -0.47   0.84   0.24
    16   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.01   0.01
    17   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.00   0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3080.7876              3083.7014              3086.2952
 Red. masses --      1.1024                 1.1016                 1.1014
 Frc consts  --      6.1647                 6.1721                 6.1813
 IR Inten    --      0.0101                35.5371                67.0598
 RamAct Fr= 1--     10.6248                60.7606               109.5873
  Dep-P Fr= 1--      0.7485                 0.7462                 0.7492
  Dep-U Fr= 1--      0.8562                 0.8546                 0.8566
 Alpha2 Fr= 1--      0.0003                 0.0040                 0.0015
 Beta2  Fr= 1--      1.5161                 8.6546                15.6457
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--      0.3257                 0.3624                -1.1098
 Delta2 Fr= 1--      0.2971                 0.3381                -1.0212
 Raman1 Fr= 1--      42.499                243.043                438.349
 ROA1   Fr= 1--      40.776                 45.608               -139.219
 CID1   Fr= 1--       0.959                  0.188                 -0.318
 Raman2 Fr= 1--      18.194                103.856                187.748
 ROA2   Fr= 1--       5.441                  5.993                -18.466
 CID2   Fr= 1--       0.299                  0.058                 -0.098
 Raman3 Fr= 1--      36.387                207.711                375.496
 ROA3   Fr= 1--      40.776                 45.608               -139.219
 CID3   Fr= 1--       1.121                  0.220                 -0.371
 RC180  Fr= 1--       0.712                  0.709                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.04  -0.01  -0.05    -0.00  -0.00  -0.00    -0.04  -0.01  -0.05
     3   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4   6     0.04   0.01   0.05    -0.06  -0.05   0.05    -0.04  -0.01  -0.05
     5   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     6   1     0.17  -0.23   0.41    -0.00   0.01  -0.01     0.17  -0.23   0.41
     7   1    -0.00  -0.00  -0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.01
     8   1     0.32   0.31   0.21     0.02   0.01   0.01     0.33   0.31   0.21
     9   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    10   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    11   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   1    -0.18   0.23  -0.40    -0.17   0.18  -0.33     0.18  -0.23   0.40
    13   1    -0.32  -0.32  -0.22     0.25   0.25   0.20     0.31   0.32   0.22
    14   1     0.01   0.00   0.02     0.62   0.15  -0.51    -0.01  -0.00  -0.01
    15   1     0.01  -0.01  -0.00     0.01  -0.02  -0.01    -0.02   0.03   0.01
    16   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  1 and mass   2.01410
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   2.01410
 Atom    10 has atomic number  1 and mass   2.01410
 Atom    11 has atomic number  1 and mass   2.01410
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   2.01410
 Atom    17 has atomic number  1 and mass   2.01410
 Molecular mass:    78.13156 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   453.53836 474.26084 490.36102
           X            0.58780  -0.66874  -0.45528
           Y            0.33017  -0.31547   0.88964
           Z            0.73857   0.67325  -0.03536
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.19097     0.18263     0.17663
 Rotational constants (GHZ):           3.97925     3.80538     3.68043
 Zero-point vibrational energy     366687.2 (Joules/Mol)
                                   87.64034 (Kcal/Mol)
 Warning -- explicit consideration of   9 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    232.28   296.29   333.89   380.23   430.02
          (Kelvin)            441.79   533.01   555.68   558.25   984.37
                             1078.90  1097.80  1146.01  1229.20  1253.35
                             1297.99  1413.51  1485.29  1548.03  1551.71
                             1559.29  1577.56  1712.59  1772.60  1800.19
                             1886.72  1903.21  1910.64  1931.67  2032.88
                             2123.04  2156.36  2156.60  3122.11  3175.29
                             3229.55  3285.01  3286.94  3288.84  4346.81
                             4380.35  4408.98  4432.57  4436.76  4440.49
 
 Zero-point correction=                           0.139664 (Hartree/Particle)
 Thermal correction to Energy=                    0.147315
 Thermal correction to Enthalpy=                  0.148259
 Thermal correction to Gibbs Free Energy=         0.109604
 Sum of electronic and zero-point Energies=           -197.732193
 Sum of electronic and thermal Energies=              -197.724542
 Sum of electronic and thermal Enthalpies=            -197.723597
 Sum of electronic and thermal Free Energies=         -197.762253
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   92.442             29.040             81.358
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             38.982
 Rotational               0.889              2.981             26.159
 Vibrational             90.664             23.078             16.217
 Vibration     1          0.622              1.890              2.533
 Vibration     2          0.640              1.831              2.079
 Vibration     3          0.653              1.792              1.863
 Vibration     4          0.671              1.738              1.633
 Vibration     5          0.692              1.676              1.423
 Vibration     6          0.697              1.660              1.378
 Vibration     7          0.742              1.533              1.078
 Vibration     8          0.755              1.500              1.015
 Vibration     9          0.756              1.496              1.008
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.385304D-50        -50.414197       -116.082978
 Total V=0       0.670850D+14         13.826625         31.836981
 Vib (Bot)       0.122093D-62        -62.913310       -144.863249
 Vib (Bot)    1  0.125171D+01          0.097503          0.224509
 Vib (Bot)    2  0.966025D+00         -0.015011         -0.034565
 Vib (Bot)    3  0.847955D+00         -0.071627         -0.164928
 Vib (Bot)    4  0.733407D+00         -0.134655         -0.310055
 Vib (Bot)    5  0.636704D+00         -0.196063         -0.451451
 Vib (Bot)    6  0.616860D+00         -0.209814         -0.483113
 Vib (Bot)    7  0.491281D+00         -0.308670         -0.710738
 Vib (Bot)    8  0.466102D+00         -0.331519         -0.763352
 Vib (Bot)    9  0.463361D+00         -0.334081         -0.769250
 Vib (V=0)       0.212575D+02          1.327512          3.056710
 Vib (V=0)    1  0.184788D+01          0.266673          0.614037
 Vib (V=0)    2  0.158775D+01          0.200783          0.462319
 Vib (V=0)    3  0.148439D+01          0.171549          0.395005
 Vib (V=0)    4  0.138763D+01          0.142273          0.327597
 Vib (V=0)    5  0.130956D+01          0.117126          0.269693
 Vib (V=0)    6  0.129405D+01          0.111951          0.257777
 Vib (V=0)    7  0.120097D+01          0.079532          0.183129
 Vib (V=0)    8  0.118356D+01          0.073189          0.168525
 Vib (V=0)    9  0.118169D+01          0.072504          0.166947
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.271452D+08          7.433694         17.116712
 Rotational      0.116257D+06          5.065419         11.663559
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   333333                            2222 22                          111 1 1111 11 11111 1                                          
   000000                            2222 21                          444 4 3333 22 10000 0 9  988  777 6          333 32 222 1      
   888642                            8884 07                          997 1 4221 53 99877 3 8  075  965 8          887 09 630 6      
   641441                            6535 70                          996 3 3831 12 06486 2 2  214  730 4          860 79 426 1      
 
   XX XXX                            XXXX XX                          XXX X XXXX XX XXXXX X X  X X  XXX            X                 
   XX XXX                            XXXX XX                           X      XX XX   X                                              
   XX XXX                            XX X XX                                                                                         
   XX XXX                            XX X XX                                                                                         
   XX XXX                            XX    X                                                                                         
   XX XXX                            X                                                                                               
   XX XXX                            X                                                                                               
   XX XXX                                                                                                                            
   XX XXX                                                                                                                            
   XX  X                                                                                                                             
   XX                                                                                                                                
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000016848   -0.000037164    0.000026376
      2        6           0.000001358    0.000007517    0.000003690
      3        6           0.000004725    0.000008246   -0.000015373
      4        6          -0.000008279    0.000000156    0.000003444
      5        6          -0.000002128   -0.000001408    0.000000971
      6        1           0.000000174    0.000004260   -0.000004700
      7        1          -0.000009109    0.000004069    0.000001894
      8        1           0.000005527    0.000000824   -0.000002879
      9        1          -0.000001352    0.000001441   -0.000000360
     10        1           0.000003279   -0.000001285    0.000003625
     11        1          -0.000002284   -0.000001459   -0.000000562
     12        1           0.000001766   -0.000001317   -0.000002862
     13        1           0.000003678    0.000001538   -0.000001146
     14        1          -0.000008347    0.000008371   -0.000000096
     15        1          -0.000000343    0.000000304   -0.000001242
     16        1          -0.000001587    0.000006311   -0.000006905
     17        1          -0.000003928   -0.000000406   -0.000003876
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000037164 RMS     0.000008117
 Z-matrix is all fixed cartesians, so copy forces.
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.673033D+02 -0.523846D-03  0.271822D-03
      2  -0.523846D-03  0.673024D+02 -0.694870D-03
      3   0.271822D-03 -0.694870D-03  0.673028D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.672752D-03  0.199739D-02 -0.201299D-02
      2  -0.258692D-02  0.409257D-03  0.214206D-02
      3   0.125392D-02 -0.416835D-03 -0.106709D-02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.346302D+00  0.174531D-01  0.125769D+01
      2   0.159623D+01 -0.979590D+00 -0.459459D+00
      3  -0.124993D+01  0.962137D+00 -0.798230D+00
      4   0.164346D-01  0.159704D+01  0.169331D+01
      5   0.125948D+01  0.169331D+01 -0.124689D+01
      6   0.169355D+01 -0.456502D+00  0.959417D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.100267D+01  0.592868D-01  0.366136D+01  0.604922D-01  0.464012D+01
      2   0.592868D-01  0.463730D+01  0.493738D+01  0.464012D+01 -0.284198D+01
      3   0.366136D+01  0.493738D+01 -0.363165D+01  0.493671D+01 -0.134503D+01
                 6             7             8             9            10 
      1   0.493671D+01  0.366226D+01  0.493832D+01 -0.363522D+01 -0.101067D+01
      2  -0.134503D+01  0.493832D+01 -0.134637D+01  0.278669D+01 -0.131664D+00
      3   0.279229D+01 -0.363522D+01  0.278669D+01 -0.231430D+01 -0.243119D+01
                11            12            13            14            15 
      1  -0.131664D+00 -0.243119D+01  0.100567D+00 -0.449519D+01 -0.383225D+01
      2  -0.365578D+01 -0.383306D+01 -0.449519D+01  0.140076D+01  0.187600D+01
      3  -0.383306D+01  0.293766D+01 -0.383225D+01  0.187600D+01 -0.198787D+01
                16            17            18            19            20 
      1  -0.312684D+01 -0.383401D+01  0.210397D+01  0.243038D+01  0.406438D+00
      2  -0.383401D+01  0.118385D+01 -0.222248D+01  0.406438D+00 -0.363614D+01
      3   0.210397D+01 -0.222248D+01  0.336904D+01 -0.237723D+01 -0.398084D+01
                21            22            23            24            25 
      1  -0.237723D+01 -0.280670D+00 -0.292058D+01 -0.398059D+01 -0.287860D+01
      2  -0.398084D+01 -0.292058D+01  0.375986D+01  0.134790D+01 -0.398030D+01
      3   0.268572D+01 -0.398059D+01  0.134790D+01 -0.205630D+01  0.340127D+01
                26            27            28            29            30 
      1  -0.398030D+01  0.340127D+01  0.214125D+01 -0.958934D+00 -0.297509D+01
      2   0.842131D+00 -0.137035D+01 -0.958934D+00 -0.387310D+01 -0.383640D+01
      3  -0.137035D+01  0.307383D+01 -0.297509D+01 -0.383640D+01  0.281102D+01
                31            32            33            34            35 
      1  -0.197928D-01 -0.335153D+01 -0.383689D+01 -0.269489D+01 -0.383795D+01
      2  -0.335153D+01  0.362421D+00  0.952349D+00 -0.383795D+01  0.123627D+01
      3  -0.383689D+01  0.952349D+00 -0.228757D+01  0.333532D+01 -0.322844D+01
                36            37            38            39            40 
      1   0.333532D+01 -0.394784D+00  0.510727D+00 -0.373839D+01  0.217496D-01
      2  -0.322844D+01  0.510727D+00 -0.343267D+01 -0.389341D+01 -0.383535D+01
      3   0.882821D+00 -0.373839D+01 -0.389341D+01  0.300078D+01 -0.389602D+01
                41            42            43            44            45 
      1  -0.383535D+01 -0.389602D+01 -0.282255D+01 -0.389514D+01  0.260046D+01
      2   0.342761D+01  0.572948D-01 -0.389514D+01  0.972452D+00 -0.195856D+01
      3   0.572948D-01 -0.245335D+01  0.260046D+01 -0.195856D+01 -0.389946D-01
                46            47            48            49            50 
      1  -0.708179D+00  0.434927D+00 -0.626786D+00  0.759907D+00  0.280065D+00
      2   0.434927D+00 -0.545304D+00  0.981005D+00  0.280065D+00  0.185743D+01
      3  -0.626786D+00  0.981005D+00 -0.217475D+01  0.343053D+00 -0.202625D+01
                51            52            53            54            55 
      1   0.343053D+00 -0.116927D+01  0.387292D+00 -0.309780D+00  0.324943D+01
      2  -0.202625D+01  0.387292D+00 -0.213227D+01  0.245914D+01 -0.174012D+01
      3   0.276365D+01 -0.309780D+00  0.245914D+01 -0.702467D+01 -0.102542D+01
                56            57            58            59            60 
      1  -0.174012D+01 -0.102542D+01 -0.328191D+01  0.272644D+01  0.171309D+01
      2   0.214590D+01  0.100998D+01  0.272644D+01 -0.443124D+01 -0.166410D+01
      3   0.100998D+01  0.937837D+00  0.171309D+01 -0.166410D+01 -0.198341D+01
                61            62            63            64            65 
      1  -0.746524D+00  0.940992D+00  0.916187D+00  0.497058D+01  0.233411D+01
      2   0.940992D+00 -0.112858D+01 -0.867124D+00  0.233411D+01  0.247250D+01
      3   0.916187D+00 -0.867124D+00 -0.174997D+01  0.773049D+00  0.690892D+00
                66            67            68            69            70 
      1   0.773049D+00  0.308224D+01  0.275056D+01  0.626698D+00  0.243034D+01
      2   0.690892D+00  0.275056D+01  0.310984D+01  0.337872D+00  0.135657D+01
      3   0.917714D+00  0.626698D+00  0.337872D+00  0.128206D+01  0.756427D+00
                71            72            73            74            75 
      1   0.135657D+01  0.756427D+00 -0.234346D+01  0.269513D+00 -0.160176D+01
      2   0.130055D+01  0.941736D+00  0.269513D+00 -0.338928D+00  0.619895D+00
      3   0.941736D+00  0.906462D+00 -0.160176D+01  0.619895D+00 -0.224325D+01
                76            77            78            79            80 
      1   0.134239D+01 -0.326657D+00  0.131813D+01 -0.225646D+01  0.545673D+00
      2  -0.326657D+00  0.825380D+00 -0.114309D+01  0.545673D+00 -0.153849D+01
      3   0.131813D+01 -0.114309D+01  0.231777D+01 -0.284003D+01  0.820427D+00
                81            82            83            84            85 
      1  -0.284003D+01 -0.607562D+01 -0.187919D+01  0.182137D+01 -0.121818D+01
      2   0.820427D+00 -0.187919D+01 -0.147678D+01  0.812948D+00 -0.105068D+01
      3  -0.635272D+01  0.182137D+01  0.812948D+00 -0.198342D+01  0.754846D+00
                86            87            88            89            90 
      1  -0.105068D+01  0.754846D+00  0.349412D+01  0.148251D+01 -0.198686D+01
      2  -0.156958D+01  0.440570D+00  0.148251D+01  0.142261D+01 -0.598316D+00
      3   0.440570D+00 -0.351674D+00 -0.198686D+01 -0.598316D+00  0.190518D+01
                91            92            93            94            95 
      1   0.104905D+01 -0.117953D+01 -0.214647D+00 -0.153412D+01  0.108295D+01
      2  -0.117953D+01  0.295836D+01  0.115852D+01  0.108295D+01 -0.736783D+01
      3  -0.214647D+00  0.115852D+01  0.820809D+00  0.518637D+00 -0.210604D+01
                96            97            98            99           100 
      1   0.518637D+00 -0.224578D+00  0.563236D+00 -0.173485D-01 -0.206345D+01
      2  -0.210604D+01  0.563236D+00 -0.168168D+01 -0.132239D+01  0.139508D+01
      3  -0.168721D+01 -0.173485D-01 -0.132239D+01 -0.153586D+01 -0.934377D+00
               101           102           103           104           105 
      1   0.139508D+01 -0.934377D+00  0.116984D+01 -0.100507D+01  0.102825D+01
      2  -0.113245D+01  0.108848D+01 -0.100507D+01  0.305453D+01 -0.168321D+01
      3   0.108848D+01 -0.154492D+01  0.102825D+01 -0.168321D+01  0.183497D+01
               106           107           108           109           110 
      1  -0.193697D+01  0.175744D+01 -0.184899D+01  0.208468D+01  0.169482D+01
      2   0.175744D+01 -0.338083D+01  0.246468D+01  0.169482D+01  0.356618D+01
      3  -0.184899D+01  0.246468D+01 -0.407208D+01  0.122959D+01  0.158034D+01
               111           112           113           114           115 
      1   0.122959D+01  0.150722D+01  0.166866D+01  0.943037D+00  0.129889D+01
      2   0.158034D+01  0.166866D+01  0.483471D+01  0.174065D+01  0.983263D+00
      3   0.139631D+01  0.943037D+00  0.174065D+01  0.181436D+01  0.541330D+00
               116           117           118           119           120 
      1   0.983263D+00  0.541330D+00 -0.545723D+01  0.621476D+00  0.287123D+01
      2   0.223843D+01  0.202569D+01  0.621476D+00 -0.106221D+01  0.134999D-01
      3   0.202569D+01  0.204265D+01  0.287123D+01  0.134999D-01 -0.282208D+01
               121           122           123           124           125 
      1  -0.852870D+00 -0.342733D+00  0.711269D+00  0.324023D+01 -0.590500D-01
      2  -0.342733D+00 -0.290614D+00  0.419078D+00 -0.590500D-01  0.105479D+01
      3   0.711269D+00  0.419078D+00 -0.426603D+00 -0.271467D+01  0.622086D+00
               126           127           128           129           130 
      1  -0.271467D+01  0.244678D+01 -0.208707D+01  0.496016D+00 -0.244728D+01
      2   0.622086D+00 -0.208707D+01  0.287837D+01  0.135345D+00  0.291657D+01
      3   0.329138D+01  0.496016D+00  0.135345D+00  0.589244D+00  0.737253D-01
               131           132           133           134           135 
      1   0.291657D+01  0.737253D-01 -0.445942D+00  0.802068D+00  0.189958D+00
      2  -0.663201D+01  0.399159D+00  0.802068D+00 -0.123343D+01 -0.536009D+00
      3   0.399159D+00 -0.131349D+01  0.189958D+00 -0.536009D+00 -0.403857D+00
               136           137           138           139           140 
      1  -0.314912D+01 -0.920349D+00  0.252253D+01 -0.670036D+00 -0.407772D+00
      2  -0.920349D+00 -0.127467D+01  0.146216D+01 -0.407772D+00 -0.136092D+01
      3   0.252253D+01  0.146216D+01 -0.403015D+01  0.822732D+00  0.114232D+01
               141           142           143           144           145 
      1   0.822732D+00  0.214407D+01  0.863925D+00 -0.212257D+01  0.383305D+01
      2   0.114232D+01  0.863925D+00  0.118785D+01 -0.115145D+01  0.117047D+01
      3  -0.913351D+00 -0.212257D+01 -0.115145D+01  0.486308D+01  0.254974D+01
               146           147           148           149           150 
      1   0.117047D+01  0.254974D+01  0.226044D+01  0.167020D+01  0.175557D+01
      2   0.176943D+01  0.105326D+01  0.167020D+01  0.186164D+01  0.125453D+01
      3   0.105326D+01  0.233313D+01  0.175557D+01  0.125453D+01  0.265573D+01
               151           152           153 
      1   0.203272D+01  0.985170D+00  0.163054D+01
      2   0.985170D+00  0.100272D+01  0.113468D+01
      3   0.163054D+01  0.113468D+01  0.315802D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.368488D-02 -0.428526D-03  0.286682D-02  0.364899D-02 -0.756333D-02
      2   0.455613D-02  0.106902D-01  0.459552D+01  0.255507D-02 -0.217726D-02
      3  -0.130538D-01 -0.459934D+01 -0.503608D-02  0.459293D+01 -0.125985D-01
                 6             7             8             9            10 
      1  -0.459205D+01  0.142264D-01  0.458714D+01 -0.652334D-02  0.109500D+01
      2   0.402526D-02 -0.458737D+01 -0.636719D-02  0.572965D-02 -0.642513D+01
      3  -0.265572D-02  0.276496D-02  0.308645D-02 -0.777791D-02 -0.853702D+00
                11            12            13            14            15 
      1   0.643428D+01  0.350154D+01  0.777149D+01 -0.179418D+01 -0.402789D+01
      2  -0.577495D+01  0.308318D+01 -0.540367D+01 -0.254719D+01 -0.739183D+01
      3   0.404079D+01  0.467969D+01  0.935008D+01 -0.303147D+01 -0.522371D+01
                16            17            18            19            20 
      1   0.395752D+01  0.764377D+00  0.702100D+00 -0.303685D+01 -0.196188D+01
      2  -0.319743D+01 -0.784655D+01  0.897009D+01  0.601012D+01  0.572586D+01
      3   0.430547D+01 -0.388584D+01  0.388871D+01 -0.388500D+01 -0.678904D+01
                21            22            23            24            25 
      1   0.699210D+01 -0.279663D+01 -0.273111D+01 -0.511021D+01  0.812997D+01
      2  -0.354607D+01  0.492474D+01 -0.402121D+01 -0.151707D+01 -0.886625D+01
      3  -0.268970D+01 -0.963411D+00  0.937403D+01  0.681974D+01 -0.188463D+01
                26            27            28            29            30 
      1   0.117664D+00  0.575444D+01  0.417427D+01  0.434959D+01 -0.679353D+01
      2  -0.265510D+01 -0.199417D+01  0.109954D+01  0.427926D+01  0.524678D+00
      3   0.598494D+01 -0.547471D+01  0.411425D+01 -0.799842D+01 -0.845368D+01
                31            32            33            34            35 
      1   0.469256D+01 -0.217605D+01  0.322078D+01 -0.792839D+01  0.900272D+01
      2   0.367251D+01  0.733805D+00  0.440303D+01 -0.385277D+01  0.553873D+01
      3  -0.177254D+01 -0.650617D+01 -0.542654D+01 -0.784748D+01 -0.508531D+01
                36            37            38            39            40 
      1  -0.200171D+01 -0.224491D+01 -0.881103D+01 -0.372571D+01 -0.966097D+01
      2  -0.182614D+01 -0.673696D+00 -0.423192D+01  0.108555D+02 -0.319939D+01
      3   0.238871D+01  0.623336D+00 -0.175314D+00  0.647510D+01  0.431357D+01
                41            42            43            44            45 
      1   0.668956D+01 -0.500732D+01 -0.417757D+01  0.103857D+01 -0.446255D+01
      2   0.583206D+01  0.452508D+01  0.499121D+01  0.497660D+01 -0.516629D+01
      3   0.174095D+00  0.382802D+01  0.544663D+01  0.297991D+01 -0.797931D+00
                46            47            48            49            50 
      1  -0.292467D+00  0.983412D+00  0.149508D+00 -0.390314D+00 -0.217456D+01
      2  -0.275785D+01  0.161657D+01 -0.214530D+01  0.274438D+01 -0.224758D+01
      3  -0.139995D+01 -0.675386D-01 -0.132656D+01  0.148446D+01 -0.193129D+01
                51            52            53            54            55 
      1  -0.260562D+00 -0.408324D+00  0.421084D+01  0.751798D+00  0.238361D+01
      2   0.428127D+01 -0.518691D+01  0.404821D+01 -0.947474D+01  0.246755D+01
      3   0.261840D+01 -0.226285D+01  0.288595D+01 -0.364968D+01  0.254310D+01
                56            57            58            59            60 
      1  -0.370320D+01 -0.743443D+00 -0.330030D+01  0.666709D+01 -0.986439D-01
      2  -0.501344D+00  0.176009D+01 -0.210349D+01  0.882118D+00 -0.206928D+01
      3  -0.560330D+01 -0.186892D+01 -0.214249D+01  0.867940D+01  0.242113D+01
                61            62            63            64            65 
      1  -0.150806D+01  0.280994D+01  0.903053D+00 -0.303571D+01 -0.290086D+01
      2  -0.935108D+00  0.122301D+00 -0.157127D+01  0.596633D+01  0.389538D+01
      3  -0.139408D+01  0.262408D+01  0.140304D+01 -0.361949D+00 -0.478805D+01
                66            67            68            69            70 
      1  -0.245395D+01 -0.309406D+01 -0.297020D+01 -0.301053D+01 -0.153350D+01
      2   0.463179D+01  0.404999D+01  0.356996D+01  0.420196D+01  0.201794D+01
      3  -0.871138D+00 -0.600280D+00 -0.416402D+01 -0.458038D+00 -0.909810D-01
                71            72            73            74            75 
      1  -0.744337D+00 -0.222304D+01 -0.192449D+01  0.196629D+01 -0.321579D+01
      2   0.264115D+01  0.316671D+01 -0.829970D+00 -0.622757D+00  0.291706D+01
      3  -0.209233D+01 -0.111563D+01  0.233721D+01 -0.207135D+01  0.253082D+01
                76            77            78            79            80 
      1   0.128987D+01 -0.305643D+01  0.224871D+01 -0.346339D+01  0.545033D+01
      2   0.646694D+00  0.118753D+01 -0.207880D+01 -0.126491D+01 -0.851964D+00
      3  -0.382697D+00  0.199288D+01 -0.246897D+01  0.263225D+01 -0.385656D+01
                81            82            83            84            85 
      1  -0.712819D+01  0.372690D+01  0.120842D+01 -0.396845D+01  0.169128D+01
      2   0.592070D+01 -0.609052D+01 -0.237880D+01  0.687372D+01 -0.201221D+01
      3   0.432696D+01  0.503550D+01 -0.214031D+01 -0.133681D+01  0.153699D+01
                86            87            88            89            90 
      1   0.121340D+01 -0.177061D+01 -0.307173D+01  0.715326D-01  0.328207D+01
      2  -0.122641D+01  0.165384D+01  0.331840D+01  0.139813D+01 -0.538752D+01
      3  -0.107515D+01 -0.483096D+00 -0.263357D+01  0.144119D+01  0.168136D+01
                91            92            93            94            95 
      1   0.825527D+00 -0.143972D+01  0.108370D+01 -0.520379D+00  0.427821D+01
      2   0.164198D+01 -0.199161D+01  0.201621D+00 -0.293254D+01  0.351769D+01
      3  -0.390206D+01  0.318694D+01  0.117147D+01  0.657286D+01 -0.913020D+01
                96            97            98            99           100 
      1  -0.297314D+01 -0.550928D+00  0.125426D+01 -0.120506D+01  0.188209D+01
      2   0.178615D+01 -0.125666D+01  0.180048D+01  0.126534D+01  0.823176D+00
      3  -0.298831D+01  0.166859D+01 -0.279908D+01 -0.126880D+01 -0.226488D+01
               101           102           103           104           105 
      1  -0.174389D+01  0.386948D+01 -0.226766D+01  0.301882D+01 -0.553261D+01
      2  -0.151144D+01  0.312723D+01 -0.776682D+00  0.195262D+01 -0.287830D+01
      3  -0.311300D+00 -0.351767D+00  0.253544D+01  0.138028D+01  0.325980D+00
               106           107           108           109           110 
      1   0.329392D+01 -0.237637D+01  0.893206D+01 -0.123105D+01  0.627437D-01
      2   0.610357D-01 -0.249546D+01  0.543235D+01 -0.291013D+01 -0.185945D+01
      3  -0.265124D+01 -0.112694D+01 -0.800887D+00  0.617476D+01  0.331475D+01
               111           112           113           114           115 
      1  -0.261537D+01 -0.893625D+00  0.167744D+00 -0.412714D+01 -0.415727D+00
      2  -0.186087D+00 -0.254433D+01 -0.234721D+01 -0.135874D+01 -0.257185D+01
      3   0.308478D+01  0.630546D+01  0.576369D+01  0.323135D+01  0.420743D+01
               116           117           118           119           120 
      1  -0.433409D+00 -0.281748D+01 -0.426116D+01 -0.209973D+01  0.467052D+01
      2  -0.193615D+01 -0.117413D+01  0.116751D+01 -0.363971D+00  0.352028D+01
      3   0.300615D+01  0.237194D+01 -0.756718D+01 -0.291330D+01  0.461140D+01
               121           122           123           124           125 
      1  -0.916864D+00 -0.124990D+01 -0.102916D+00  0.402537D+01  0.184402D+01
      2   0.119741D+00 -0.240799D+00  0.376546D+00 -0.103976D+01 -0.409921D+00
      3  -0.353916D+00 -0.140507D+01  0.115552D+01  0.525661D+01  0.253399D+01
               126           127           128           129           130 
      1  -0.443561D+01 -0.256981D+01  0.478587D+01  0.204738D+01  0.449381D+01
      2  -0.270802D+01 -0.288466D+01  0.306363D+01  0.137945D+01  0.376057D+01
      3  -0.363273D+01 -0.156991D+01 -0.181642D+01 -0.512001D+00  0.273775D+01
               131           132           133           134           135 
      1  -0.935663D+01 -0.393420D+01  0.998332D+00 -0.103426D+01 -0.190484D+01
      2  -0.429367D+01 -0.246916D+01 -0.233840D+00 -0.122651D+01 -0.103196D+01
      3   0.302214D+01 -0.211445D+00  0.355376D+00  0.425174D+00  0.231061D+00
               136           137           138           139           140 
      1   0.703241D+00 -0.216554D+01 -0.152458D+01  0.234107D+00 -0.141058D+01
      2   0.814141D+01  0.191116D+01 -0.381762D+01  0.220537D+01  0.108276D+01
      3   0.383164D+01 -0.566885D+00 -0.261182D+01  0.178827D+01  0.604121D+00
               141           142           143           144           145 
      1  -0.356620D+00 -0.404573D+00  0.289784D+01  0.244117D+01  0.380949D+01
      2  -0.180387D+01 -0.727078D+01 -0.213182D+01  0.525834D+01 -0.474996D+01
      3  -0.129692D+01 -0.310062D+01 -0.536649D+00  0.254582D+01 -0.284182D+01
               146           147           148           149           150 
      1   0.503568D+01  0.272372D+01  0.366377D+01  0.489277D+01  0.178370D+01
      2  -0.126668D+01 -0.123783D+00 -0.315425D+01 -0.183228D+01  0.335130D+00
      3  -0.435371D+01 -0.252557D+01 -0.135096D+01 -0.373486D+01 -0.184012D+01
               151           152           153 
      1   0.304255D+01  0.419095D+01  0.341806D+01
      2  -0.377643D+01 -0.965547D+00  0.314632D+00
      3  -0.200968D+01 -0.250177D+01 -0.208946D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.445614D+01 -0.272216D+01  0.248162D+01 -0.272375D+01 -0.184458D+01
      2  -0.185277D+01  0.290623D+01 -0.116438D+01  0.290671D+01  0.192360D+01
      3  -0.260337D+01 -0.184068D+00 -0.131724D+01 -0.182962D+00 -0.790185D-01
      4  -0.273232D+01 -0.188495D+01 -0.773352D+00 -0.188433D+01  0.291151D+01
      5   0.247392D+01 -0.775838D+00 -0.264149D+01 -0.772340D+00 -0.117014D+01
      6  -0.773551D+00 -0.116416D+01 -0.195750D+00 -0.116609D+01 -0.343224D+01
                 6             7             8             9            10 
      1  -0.768786D+00  0.248851D+01 -0.761875D+00 -0.261524D+01 -0.518027D+01
      2  -0.342371D+01 -0.116149D+01 -0.342133D+01 -0.707063D-01 -0.389018D+01
      3   0.419249D+01 -0.132702D+01  0.418320D+01  0.268594D+01  0.907045D+01
      4  -0.116676D+01 -0.769602D+00 -0.116532D+01 -0.195241D+00 -0.144263D+01
      5  -0.190836D+00 -0.264434D+01 -0.188706D+00 -0.132167D+01 -0.564242D+01
      6  -0.104464D+00 -0.196666D+00 -0.104446D+00  0.418784D+01 -0.405589D+01
                11            12            13            14            15 
      1  -0.431181D+01 -0.186141D+01 -0.446887D+01 -0.819851D+01 -0.138786D+02
      2  -0.613196D+01  0.338158D+01 -0.500318D+01  0.516642D+01  0.147072D+01
      3   0.104438D+02 -0.152016D+01  0.947205D+01  0.303209D+01  0.124079D+02
      4  -0.122507D+02 -0.968285D+01 -0.133228D+02  0.252196D+01  0.172510D+01
      5  -0.837453D+01  0.589785D+01 -0.934663D+01  0.645747D+01  0.296859D+01
      6   0.417734D+01  0.859791D+01  0.477335D+01 -0.389039D+01 -0.671066D+01
                16            17            18            19            20 
      1  -0.238231D+01 -0.141559D+02  0.135325D+02 -0.819778D+01 -0.894581D+01
      2   0.274658D+01  0.222488D+01 -0.144981D+01  0.247551D+01  0.637283D+01
      3  -0.364275D+00  0.119310D+02 -0.120827D+02  0.572227D+01  0.257299D+01
      4  -0.109373D+02  0.493260D+00 -0.968527D+00 -0.388777D+01  0.154124D+01
      5   0.609653D+01  0.222099D+01 -0.110223D+01  0.518314D+01  0.695977D+01
      6   0.687826D+01 -0.670899D+01  0.787236D+01  0.645737D+01  0.106416D+02
                21            22            23            24            25 
      1   0.526631D+01 -0.889212D+01  0.135657D+02  0.898815D+01  0.609239D+01
      2   0.871615D+01  0.494817D+01 -0.137320D+02 -0.109364D+02  0.771170D+01
      3  -0.139825D+02  0.394395D+01  0.166256D+00  0.194825D+01 -0.138041D+02
      4   0.105886D+02  0.255291D+01  0.344528D+01  0.456819D+01  0.115945D+02
      5  -0.585937D+01  0.720628D+01  0.405809D+01  0.797166D+01 -0.717328D+01
      6   0.425964D-01  0.937765D+01 -0.737254D+01 -0.153939D+01 -0.177120D-01
                26            27            28            29            30 
      1   0.975016D+01 -0.532260D+01 -0.288782D+01  0.697144D+01  0.107769D+02
      2  -0.109037D+02  0.112841D+02  0.486102D+01 -0.900108D+01 -0.166362D+02
      3   0.115355D+01 -0.596149D+01 -0.197320D+01  0.202964D+01  0.585930D+01
      4   0.482576D+01  0.676246D+00  0.217025D+01 -0.707333D+00 -0.218574D+01
      5   0.653716D+01 -0.907199D+01  0.655921D+01  0.280961D+01 -0.101537D+02
      6  -0.712310D+00  0.108772D+01 -0.523481D+01 -0.131765D+02  0.431105D+01
                31            32            33            34            35 
      1   0.686654D+01  0.514551D+01  0.585772D+01  0.113213D+02  0.480752D+01
      2  -0.829934D+01 -0.198670D+01 -0.445807D+00 -0.164514D+02 -0.390670D+00
      3   0.143279D+01 -0.315882D+01 -0.541192D+01  0.513007D+01 -0.441685D+01
      4  -0.561353D-01 -0.102463D+02 -0.111238D+02 -0.143780D+01 -0.121198D+02
      5   0.460593D+01 -0.665917D+01  0.852104D+00 -0.103786D+02  0.223136D+01
      6  -0.119966D+02  0.217169D+01 -0.856903D+01  0.509015D+01 -0.933480D+01
                36            37            38            39            40 
      1  -0.232597D+01  0.316082D+01  0.159962D+01 -0.987379D+01  0.181355D+01
      2  -0.264585D+01  0.375807D+01  0.138142D+02  0.251635D+01  0.134056D+02
      3   0.497181D+01 -0.691888D+01 -0.154139D+02  0.735744D+01 -0.152191D+02
      4   0.784321D+01 -0.152718D+01 -0.743801D+01 -0.428356D-01 -0.802555D+01
      5   0.328951D-01 -0.180034D+01 -0.272216D+01 -0.100453D+02 -0.379646D+01
      6   0.319821D+01  0.150950D+01 -0.366208D+01 -0.132863D+02 -0.416443D+01
                41            42            43            44            45 
      1  -0.330720D+01 -0.231734D+01 -0.107358D+02 -0.176006D+01  0.366535D-01
      2  -0.694995D+01  0.401293D+01  0.397070D+01  0.317764D+01  0.309560D+01
      3   0.102571D+02 -0.169560D+01  0.676509D+01 -0.141758D+01 -0.313225D+01
      4   0.931836D+01  0.281951D+01 -0.554251D+00  0.478055D+01 -0.787719D+01
      5  -0.585354D+01 -0.121415D+02 -0.869372D+01 -0.113298D+02  0.785207D+01
      6   0.319432D+01  0.104749D+01 -0.122867D+02  0.974428D+00 -0.490757D+01
                46            47            48            49            50 
      1  -0.136125D+01  0.325566D+01 -0.568757D+01  0.291447D+01 -0.576886D+01
      2  -0.509419D+00 -0.111292D+01 -0.164312D+01 -0.906628D+00  0.249509D+01
      3   0.187066D+01 -0.214275D+01  0.733069D+01 -0.200784D+01  0.327378D+01
      4  -0.843079D+00  0.220067D+01 -0.222438D+00  0.380752D+01  0.226084D+01
      5   0.305266D+01 -0.742591D+00  0.295266D+01 -0.181217D+01 -0.261473D+01
      6  -0.178575D+01  0.303480D+01 -0.387989D+01  0.149509D+00 -0.862977D+01
                51            52            53            54            55 
      1   0.939276D+01 -0.438337D+01  0.904777D+01 -0.196814D+02  0.128628D+02
      2   0.311366D+00  0.132669D+01 -0.554077D+00 -0.103125D+02 -0.728557D+01
      3  -0.970413D+01  0.305668D+01 -0.849369D+01  0.299939D+02 -0.557728D+01
      4  -0.275194D+01 -0.857031D+00 -0.353988D+01  0.356545D+01 -0.764494D+01
      5   0.366393D+01  0.588840D+01  0.300092D+01 -0.913396D+01 -0.948280D+01
      6   0.114306D+02 -0.121062D+01  0.117316D+02 -0.151423D+02  0.458284D+01
                56            57            58            59            60 
      1  -0.553380D+01 -0.280992D+01 -0.915310D+01  0.274992D+01  0.118277D+01
      2   0.437241D+01  0.396221D+01  0.601997D+01  0.104868D+01 -0.399561D+01
      3   0.116139D+01 -0.115229D+01  0.313312D+01 -0.379860D+01  0.281284D+01
      4   0.104846D+02  0.395707D+01  0.119359D+02 -0.152758D+02 -0.487496D+01
      5   0.649785D+01  0.718009D+01  0.100602D+02 -0.731490D+01 -0.886511D+01
      6  -0.531732D+01 -0.346175D+01 -0.616313D+01  0.117632D+02  0.743372D+01
                61            62            63            64            65 
      1  -0.212920D+01  0.177584D+01 -0.133142D+01  0.220275D+02  0.865223D+01
      2   0.365072D+01 -0.273235D+01 -0.370981D+01 -0.623391D+01  0.124297D+01
      3  -0.152153D+01  0.956510D+00  0.504123D+01 -0.157936D+02 -0.989520D+01
      4   0.355586D+01 -0.353225D+01 -0.330710D+01  0.145948D+02  0.135075D+02
      5   0.674982D+01 -0.521541D+01 -0.656916D+01 -0.202356D+01 -0.104209D+00
      6  -0.362718D+01  0.639622D+01  0.289157D+01 -0.159797D+01 -0.293311D+01
                66            67            68            69            70 
      1   0.384679D+01  0.108153D+02  0.465696D+01  0.306593D+01  0.803203D+01
      2   0.135057D-01  0.346633D+00  0.586365D+01  0.175488D+01 -0.209353D+01
      3  -0.386029D+01 -0.111620D+02 -0.105206D+02 -0.482082D+01 -0.593850D+01
      4   0.320051D+01  0.145586D+02  0.136336D+02  0.202944D+01  0.612437D+01
      5   0.494312D+01 -0.951981D+00 -0.106572D+01  0.385163D+01  0.335698D+01
      6   0.577868D+00 -0.257787D+01 -0.190019D+01  0.357124D+01  0.531493D+00
                71            72            73            74            75 
      1   0.306018D+01  0.112530D+01  0.732740D+01 -0.516122D+00  0.308355D+01
      2   0.230350D+01 -0.215609D+00 -0.786315D+01  0.162212D+01 -0.857007D+01
      3  -0.536368D+01 -0.909688D+00  0.535755D+00 -0.110599D+01  0.548653D+01
      4   0.540056D+01  0.339318D+01  0.150609D+01  0.307071D+01 -0.495250D+00
      5   0.247991D+01  0.450427D+01  0.954654D+01 -0.260397D+01  0.124833D+02
      6   0.221034D+01  0.122762D+01  0.339089D+00  0.421592D+00  0.220552D+01
                76            77            78            79            80 
      1  -0.262382D+01 -0.154589D+01 -0.259909D+00  0.420257D+01 -0.178537D+01
      2   0.338470D+01 -0.618031D+00  0.693235D+01 -0.998397D+01  0.574873D+01
      3  -0.760884D+00  0.216392D+01 -0.667244D+01  0.578140D+01 -0.396336D+01
      4   0.204735D+01 -0.361121D+01  0.261514D+01  0.478122D+00  0.397011D+01
      5  -0.566317D+01  0.293574D+01 -0.664955D+01  0.144728D+02 -0.300275D+01
      6   0.535114D+00 -0.255546D+01  0.331426D+01  0.222847D+01  0.519712D+01
                81            82            83            84            85 
      1  -0.332827D+01  0.254129D+02  0.539141D+01 -0.752911D+01  0.430915D+01
      2  -0.185084D+02 -0.794771D+01  0.167711D+01  0.540745D+00  0.149459D+01
      3   0.218366D+02 -0.174651D+02 -0.706852D+01  0.698837D+01 -0.580374D+01
      4   0.491713D-01  0.167739D+02  0.107631D+02 -0.558547D+01  0.899292D+01
      5   0.205054D+02 -0.374587D+01 -0.134600D+01  0.767504D+01 -0.108541D+01
      6   0.437842D+01 -0.371129D+01 -0.191436D+01  0.463839D+01 -0.231069D+01
                86            87            88            89            90 
      1   0.589058D+00 -0.184801D+01 -0.116287D+02 -0.184626D+01  0.458067D+01
      2   0.443502D+01 -0.141154D+00  0.265867D+01 -0.187075D+01 -0.311953D+01
      3  -0.502408D+01  0.198916D+01  0.897006D+01  0.371702D+01 -0.146115D+01
      4   0.629741D+01 -0.374597D+01 -0.909264D+01 -0.706506D+01  0.428012D+01
      5  -0.169349D+01  0.593583D+00  0.706283D+01  0.143445D+01 -0.673373D+01
      6  -0.229427D+00  0.318881D+01  0.415057D+01  0.306122D+01 -0.567020D+01
                91            92            93            94            95 
      1  -0.155988D+01  0.804915D+01  0.245066D+01  0.635278D+01 -0.215467D+02
      2   0.336070D+01 -0.102131D+02 -0.186452D+01 -0.571910D+01  0.317023D+02
      3  -0.180082D+01  0.216391D+01 -0.586138D+00 -0.633673D+00 -0.101555D+02
      4  -0.395636D+01  0.388859D+01  0.216135D+00  0.600427D+01  0.431871D+01
      5  -0.305052D+01  0.165108D+01  0.202776D+01  0.253186D+01 -0.265883D+00
      6   0.201268D+01 -0.609188D+01 -0.463711D+01 -0.294174D+01  0.171555D+02
                96            97            98            99           100 
      1  -0.789016D+01  0.116145D+01 -0.702911D+01 -0.464914D+01  0.460587D+01
      2   0.660226D+01 -0.169488D+01  0.608660D+01  0.169083D+01  0.139161D+00
      3   0.128790D+01  0.533422D+00  0.942505D+00  0.295831D+01 -0.474503D+01
      4   0.113882D+01  0.174166D+00  0.110802D+01  0.305688D+00 -0.851856D+01
      5   0.634262D+00  0.306579D+01 -0.190110D+00  0.152696D+01  0.326237D+01
      6   0.112178D+02 -0.169536D+01  0.982579D+01  0.652770D+01 -0.334419D+01
               101           102           103           104           105 
      1  -0.145549D+01  0.952413D+00 -0.129268D+01 -0.546689D+01  0.144688D+01
      2  -0.340140D+01  0.252055D+01 -0.325142D+01  0.133670D+02 -0.609628D+01
      3   0.485689D+01 -0.347296D+01  0.454410D+01 -0.790012D+01  0.464940D+01
      4   0.851843D+01 -0.508845D+01  0.791392D+01 -0.872272D+01  0.654523D+01
      5  -0.292671D+01  0.666126D+01 -0.252849D+01  0.395240D+01 -0.361514D+01
      6   0.447354D+01 -0.526882D+01  0.449791D+01 -0.738905D+01  0.967825D+01
               106           107           108           109           110 
      1   0.241547D+01  0.379610D+01 -0.258972D+01 -0.210649D+01 -0.859516D+01
      2   0.221602D+01 -0.103906D+02  0.256484D+01  0.370627D+01  0.130116D+02
      3  -0.463150D+01  0.659445D+01  0.248781D-01 -0.159978D+01 -0.441646D+01
      4  -0.868170D+01  0.997969D+01 -0.736783D+01  0.890809D+01  0.708885D+01
      5   0.715130D+01 -0.467814D+01  0.913026D+01  0.298662D+01  0.171615D+01
      6  -0.586642D+01  0.112106D+02 -0.152892D+02  0.492738D+01  0.824194D+01
               111           112           113           114           115 
      1  -0.538189D+01 -0.606296D+01 -0.154473D+02 -0.767014D+01 -0.453779D+01
      2   0.385354D+01  0.768231D+01  0.234435D+02  0.712596D+01  0.368676D+01
      3   0.152835D+01 -0.161935D+01 -0.799622D+01  0.544184D+00  0.851023D+00
      4   0.370116D+01  0.730065D+01  0.463269D+01  0.281746D+01  0.422367D+01
      5   0.358299D+01  0.131503D+01  0.142579D+01 -0.910185D-02  0.420885D+01
      6   0.675850D+01  0.531147D+01  0.123900D+02  0.108843D+02  0.339832D+01
               116           117           118           119           120 
      1  -0.852397D+01 -0.675945D+01  0.182539D+02  0.538462D+00 -0.684429D+01
      2   0.861932D+01  0.362396D+01 -0.130888D+02 -0.274539D+01  0.954768D+01
      3  -0.953475D-01  0.313550D+01 -0.516508D+01  0.220693D+01 -0.270340D+01
      4   0.262762D+01  0.133447D+01 -0.115554D+02  0.655782D+01  0.604580D+01
      5   0.396817D+00  0.112406D+01 -0.152793D+02  0.961203D+00  0.132606D+02
      6   0.115985D+02  0.957026D+01  0.640896D+01 -0.190804D+01 -0.682122D+01
               121           122           123           124           125 
      1   0.278219D+01  0.557729D+00 -0.119017D+01 -0.817313D+01 -0.177719D+01
      2  -0.302018D+01 -0.437513D+00  0.297030D+01  0.985237D+01  0.312271D+01
      3   0.237989D+00 -0.120216D+00 -0.178013D+01 -0.167924D+01 -0.134552D+01
      4   0.338222D+01  0.102931D+01 -0.116072D+01  0.716508D+01 -0.281918D+01
      5  -0.189557D+01 -0.174670D+01  0.162030D+01  0.133072D+02 -0.134295D+01
      6  -0.748097D+00 -0.155154D+00  0.282601D+01 -0.596001D+01  0.521423D+01
               126           127           128           129           130 
      1   0.164582D+01  0.496724D+01 -0.173457D+01 -0.359174D+00 -0.270361D+01
      2  -0.840881D+01  0.135412D+01 -0.734392D+01 -0.121457D+01 -0.669093D+01
      3   0.676299D+01 -0.632135D+01  0.907848D+01  0.157374D+01  0.939454D+01
      4  -0.573513D+01 -0.100272D+02  0.122863D+02 -0.469420D+00  0.131120D+02
      5  -0.126148D+02  0.464313D+01 -0.356899D+01  0.453461D+01 -0.481120D+01
      6   0.681290D+01 -0.386347D+01  0.621905D+01 -0.149134D+01  0.584152D+01
               131           132           133           134           135 
      1  -0.618212D+01  0.270526D+01 -0.113349D+01  0.357588D+00 -0.600914D+00
      2   0.227394D+02  0.135422D+01 -0.918262D+00  0.396693D+01  0.131318D+01
      3  -0.165573D+02 -0.405948D+01  0.205175D+01 -0.432452D+01 -0.712262D+00
      4  -0.173424D+02  0.622572D+00  0.227915D+01 -0.246911D+01 -0.152502D+01
      5   0.549090D+01 -0.237160D+01  0.248987D+01 -0.918992D+00 -0.122864D+01
      6  -0.129266D+02  0.650908D+01 -0.500632D+00  0.321002D+01  0.104577D+01
               136           137           138           139           140 
      1  -0.182357D+01 -0.358549D+01  0.904816D+01 -0.241013D+01 -0.346610D+01
      2  -0.408565D+01  0.672510D+00  0.550576D+01 -0.376599D+00  0.247504D+01
      3   0.590922D+01  0.291298D+01 -0.145539D+02  0.278673D+01  0.991061D+00
      4   0.625410D+01  0.438400D+01 -0.380102D+01  0.434432D+01  0.703665D+00
      5  -0.123927D+02 -0.272395D+01  0.107818D+02 -0.198956D+01 -0.181065D+01
      6  -0.478317D+01 -0.684691D+01  0.884875D+01 -0.344729D+01 -0.582831D+01
               141           142           143           144           145 
      1   0.468745D+01  0.673093D+01  0.503606D+01 -0.137045D+02  0.978027D+01
      2  -0.968159D+00  0.253789D+01 -0.791921D+00 -0.935267D+01 -0.117666D+02
      3  -0.371929D+01 -0.926882D+01 -0.424414D+01  0.230572D+02  0.198629D+01
      4  -0.213280D+01 -0.349671D+01 -0.185795D+01  0.370092D+01  0.192768D+01
      5   0.280442D+01  0.101184D+02  0.304339D+01 -0.819383D+01  0.157102D+02
      6   0.769357D+01  0.576201D+01  0.811762D+01 -0.108501D+02  0.291228D+01
               146           147           148           149           150 
      1   0.294174D+01  0.244111D+01  0.447736D+01  0.640973D+00 -0.150336D+01
      2  -0.574195D+01 -0.946537D+01 -0.692196D+01 -0.119890D+01 -0.652880D+01
      3   0.280021D+01  0.702426D+01  0.244461D+01  0.557928D+00  0.803215D+01
      4   0.529148D+01  0.636894D+00  0.463948D+01  0.412451D+01  0.207575D+01
      5   0.529258D+01  0.140216D+02  0.893365D+01  0.587455D+01  0.888238D+01
      6   0.580450D+01  0.306155D+01  0.502968D+01  0.763370D+01  0.543130D+01
               151           152           153 
      1   0.265894D+01  0.896847D-02 -0.288089D+01
      2  -0.805477D+01 -0.419449D+01 -0.106474D+02
      3   0.539583D+01  0.418552D+01  0.135283D+02
      4   0.232107D+00  0.138301D+01  0.182758D+01
      5   0.122245D+02  0.552139D+01  0.112943D+02
      6   0.332155D+01  0.541537D+01  0.305823D+01
 Leave Link  716 at Thu Jan 27 11:59:48 2022, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.673033D+02 -0.523846D-03  0.271822D-03
      2  -0.523846D-03  0.673024D+02 -0.694870D-03
      3   0.271822D-03 -0.694870D-03  0.673028D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.672752D-03  0.199739D-02 -0.201299D-02
      2  -0.258692D-02  0.409257D-03  0.214206D-02
      3   0.125392D-02 -0.416835D-03 -0.106709D-02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.346302D+00  0.174531D-01  0.125769D+01
      2   0.159623D+01 -0.979590D+00 -0.459459D+00
      3  -0.124993D+01  0.962137D+00 -0.798230D+00
      4   0.164346D-01  0.159704D+01  0.169331D+01
      5   0.125948D+01  0.169331D+01 -0.124689D+01
      6   0.169355D+01 -0.456502D+00  0.959417D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.100267D+01  0.592868D-01  0.366136D+01  0.604922D-01  0.464012D+01
      2   0.592868D-01  0.463730D+01  0.493738D+01  0.464012D+01 -0.284198D+01
      3   0.366136D+01  0.493738D+01 -0.363165D+01  0.493671D+01 -0.134503D+01
                 6             7             8             9            10 
      1   0.493671D+01  0.366226D+01  0.493832D+01 -0.363522D+01 -0.101067D+01
      2  -0.134503D+01  0.493832D+01 -0.134637D+01  0.278669D+01 -0.131664D+00
      3   0.279229D+01 -0.363522D+01  0.278669D+01 -0.231430D+01 -0.243119D+01
                11            12            13            14            15 
      1  -0.131664D+00 -0.243119D+01  0.100567D+00 -0.449519D+01 -0.383225D+01
      2  -0.365578D+01 -0.383306D+01 -0.449519D+01  0.140076D+01  0.187600D+01
      3  -0.383306D+01  0.293766D+01 -0.383225D+01  0.187600D+01 -0.198787D+01
                16            17            18            19            20 
      1  -0.312684D+01 -0.383401D+01  0.210397D+01  0.243038D+01  0.406438D+00
      2  -0.383401D+01  0.118385D+01 -0.222248D+01  0.406438D+00 -0.363614D+01
      3   0.210397D+01 -0.222248D+01  0.336904D+01 -0.237723D+01 -0.398084D+01
                21            22            23            24            25 
      1  -0.237723D+01 -0.280670D+00 -0.292058D+01 -0.398059D+01 -0.287860D+01
      2  -0.398084D+01 -0.292058D+01  0.375986D+01  0.134790D+01 -0.398030D+01
      3   0.268572D+01 -0.398059D+01  0.134790D+01 -0.205630D+01  0.340127D+01
                26            27            28            29            30 
      1  -0.398030D+01  0.340127D+01  0.214125D+01 -0.958934D+00 -0.297509D+01
      2   0.842131D+00 -0.137035D+01 -0.958934D+00 -0.387310D+01 -0.383640D+01
      3  -0.137035D+01  0.307383D+01 -0.297509D+01 -0.383640D+01  0.281102D+01
                31            32            33            34            35 
      1  -0.197928D-01 -0.335153D+01 -0.383689D+01 -0.269489D+01 -0.383795D+01
      2  -0.335153D+01  0.362421D+00  0.952349D+00 -0.383795D+01  0.123627D+01
      3  -0.383689D+01  0.952349D+00 -0.228757D+01  0.333532D+01 -0.322844D+01
                36            37            38            39            40 
      1   0.333532D+01 -0.394784D+00  0.510727D+00 -0.373839D+01  0.217496D-01
      2  -0.322844D+01  0.510727D+00 -0.343267D+01 -0.389341D+01 -0.383535D+01
      3   0.882821D+00 -0.373839D+01 -0.389341D+01  0.300078D+01 -0.389602D+01
                41            42            43            44            45 
      1  -0.383535D+01 -0.389602D+01 -0.282255D+01 -0.389514D+01  0.260046D+01
      2   0.342761D+01  0.572948D-01 -0.389514D+01  0.972452D+00 -0.195856D+01
      3   0.572948D-01 -0.245335D+01  0.260046D+01 -0.195856D+01 -0.389946D-01
                46            47            48            49            50 
      1  -0.708179D+00  0.434927D+00 -0.626786D+00  0.759907D+00  0.280065D+00
      2   0.434927D+00 -0.545304D+00  0.981005D+00  0.280065D+00  0.185743D+01
      3  -0.626786D+00  0.981005D+00 -0.217475D+01  0.343053D+00 -0.202625D+01
                51            52            53            54            55 
      1   0.343053D+00 -0.116927D+01  0.387292D+00 -0.309780D+00  0.324943D+01
      2  -0.202625D+01  0.387292D+00 -0.213227D+01  0.245914D+01 -0.174012D+01
      3   0.276365D+01 -0.309780D+00  0.245914D+01 -0.702467D+01 -0.102542D+01
                56            57            58            59            60 
      1  -0.174012D+01 -0.102542D+01 -0.328191D+01  0.272644D+01  0.171309D+01
      2   0.214590D+01  0.100998D+01  0.272644D+01 -0.443124D+01 -0.166410D+01
      3   0.100998D+01  0.937837D+00  0.171309D+01 -0.166410D+01 -0.198341D+01
                61            62            63            64            65 
      1  -0.746524D+00  0.940992D+00  0.916187D+00  0.497058D+01  0.233411D+01
      2   0.940992D+00 -0.112858D+01 -0.867124D+00  0.233411D+01  0.247250D+01
      3   0.916187D+00 -0.867124D+00 -0.174997D+01  0.773049D+00  0.690892D+00
                66            67            68            69            70 
      1   0.773049D+00  0.308224D+01  0.275056D+01  0.626698D+00  0.243034D+01
      2   0.690892D+00  0.275056D+01  0.310984D+01  0.337872D+00  0.135657D+01
      3   0.917714D+00  0.626698D+00  0.337872D+00  0.128206D+01  0.756427D+00
                71            72            73            74            75 
      1   0.135657D+01  0.756427D+00 -0.234346D+01  0.269513D+00 -0.160176D+01
      2   0.130055D+01  0.941736D+00  0.269513D+00 -0.338928D+00  0.619895D+00
      3   0.941736D+00  0.906462D+00 -0.160176D+01  0.619895D+00 -0.224325D+01
                76            77            78            79            80 
      1   0.134239D+01 -0.326657D+00  0.131813D+01 -0.225646D+01  0.545673D+00
      2  -0.326657D+00  0.825380D+00 -0.114309D+01  0.545673D+00 -0.153849D+01
      3   0.131813D+01 -0.114309D+01  0.231777D+01 -0.284003D+01  0.820427D+00
                81            82            83            84            85 
      1  -0.284003D+01 -0.607562D+01 -0.187919D+01  0.182137D+01 -0.121818D+01
      2   0.820427D+00 -0.187919D+01 -0.147678D+01  0.812948D+00 -0.105068D+01
      3  -0.635272D+01  0.182137D+01  0.812948D+00 -0.198342D+01  0.754846D+00
                86            87            88            89            90 
      1  -0.105068D+01  0.754846D+00  0.349412D+01  0.148251D+01 -0.198686D+01
      2  -0.156958D+01  0.440570D+00  0.148251D+01  0.142261D+01 -0.598316D+00
      3   0.440570D+00 -0.351674D+00 -0.198686D+01 -0.598316D+00  0.190518D+01
                91            92            93            94            95 
      1   0.104905D+01 -0.117953D+01 -0.214647D+00 -0.153412D+01  0.108295D+01
      2  -0.117953D+01  0.295836D+01  0.115852D+01  0.108295D+01 -0.736783D+01
      3  -0.214647D+00  0.115852D+01  0.820809D+00  0.518637D+00 -0.210604D+01
                96            97            98            99           100 
      1   0.518637D+00 -0.224578D+00  0.563236D+00 -0.173485D-01 -0.206345D+01
      2  -0.210604D+01  0.563236D+00 -0.168168D+01 -0.132239D+01  0.139508D+01
      3  -0.168721D+01 -0.173485D-01 -0.132239D+01 -0.153586D+01 -0.934377D+00
               101           102           103           104           105 
      1   0.139508D+01 -0.934377D+00  0.116984D+01 -0.100507D+01  0.102825D+01
      2  -0.113245D+01  0.108848D+01 -0.100507D+01  0.305453D+01 -0.168321D+01
      3   0.108848D+01 -0.154492D+01  0.102825D+01 -0.168321D+01  0.183497D+01
               106           107           108           109           110 
      1  -0.193697D+01  0.175744D+01 -0.184899D+01  0.208468D+01  0.169482D+01
      2   0.175744D+01 -0.338083D+01  0.246468D+01  0.169482D+01  0.356618D+01
      3  -0.184899D+01  0.246468D+01 -0.407208D+01  0.122959D+01  0.158034D+01
               111           112           113           114           115 
      1   0.122959D+01  0.150722D+01  0.166866D+01  0.943037D+00  0.129889D+01
      2   0.158034D+01  0.166866D+01  0.483471D+01  0.174065D+01  0.983263D+00
      3   0.139631D+01  0.943037D+00  0.174065D+01  0.181436D+01  0.541330D+00
               116           117           118           119           120 
      1   0.983263D+00  0.541330D+00 -0.545723D+01  0.621476D+00  0.287123D+01
      2   0.223843D+01  0.202569D+01  0.621476D+00 -0.106221D+01  0.134999D-01
      3   0.202569D+01  0.204265D+01  0.287123D+01  0.134999D-01 -0.282208D+01
               121           122           123           124           125 
      1  -0.852870D+00 -0.342733D+00  0.711269D+00  0.324023D+01 -0.590500D-01
      2  -0.342733D+00 -0.290614D+00  0.419078D+00 -0.590500D-01  0.105479D+01
      3   0.711269D+00  0.419078D+00 -0.426603D+00 -0.271467D+01  0.622086D+00
               126           127           128           129           130 
      1  -0.271467D+01  0.244678D+01 -0.208707D+01  0.496016D+00 -0.244728D+01
      2   0.622086D+00 -0.208707D+01  0.287837D+01  0.135345D+00  0.291657D+01
      3   0.329138D+01  0.496016D+00  0.135345D+00  0.589244D+00  0.737253D-01
               131           132           133           134           135 
      1   0.291657D+01  0.737253D-01 -0.445942D+00  0.802068D+00  0.189958D+00
      2  -0.663201D+01  0.399159D+00  0.802068D+00 -0.123343D+01 -0.536009D+00
      3   0.399159D+00 -0.131349D+01  0.189958D+00 -0.536009D+00 -0.403857D+00
               136           137           138           139           140 
      1  -0.314912D+01 -0.920349D+00  0.252253D+01 -0.670036D+00 -0.407772D+00
      2  -0.920349D+00 -0.127467D+01  0.146216D+01 -0.407772D+00 -0.136092D+01
      3   0.252253D+01  0.146216D+01 -0.403015D+01  0.822732D+00  0.114232D+01
               141           142           143           144           145 
      1   0.822732D+00  0.214407D+01  0.863925D+00 -0.212257D+01  0.383305D+01
      2   0.114232D+01  0.863925D+00  0.118785D+01 -0.115145D+01  0.117047D+01
      3  -0.913351D+00 -0.212257D+01 -0.115145D+01  0.486308D+01  0.254974D+01
               146           147           148           149           150 
      1   0.117047D+01  0.254974D+01  0.226044D+01  0.167020D+01  0.175557D+01
      2   0.176943D+01  0.105326D+01  0.167020D+01  0.186164D+01  0.125453D+01
      3   0.105326D+01  0.233313D+01  0.175557D+01  0.125453D+01  0.265573D+01
               151           152           153 
      1   0.203272D+01  0.985170D+00  0.163054D+01
      2   0.985170D+00  0.100272D+01  0.113468D+01
      3   0.163054D+01  0.113468D+01  0.315802D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.368488D-02 -0.428526D-03  0.286682D-02  0.364899D-02 -0.756333D-02
      2   0.455613D-02  0.106902D-01  0.459552D+01  0.255507D-02 -0.217726D-02
      3  -0.130538D-01 -0.459934D+01 -0.503608D-02  0.459293D+01 -0.125985D-01
                 6             7             8             9            10 
      1  -0.459205D+01  0.142264D-01  0.458714D+01 -0.652334D-02  0.109500D+01
      2   0.402526D-02 -0.458737D+01 -0.636719D-02  0.572965D-02 -0.642513D+01
      3  -0.265572D-02  0.276496D-02  0.308645D-02 -0.777791D-02 -0.853702D+00
                11            12            13            14            15 
      1   0.643428D+01  0.350154D+01  0.777149D+01 -0.179418D+01 -0.402789D+01
      2  -0.577495D+01  0.308318D+01 -0.540367D+01 -0.254719D+01 -0.739183D+01
      3   0.404079D+01  0.467969D+01  0.935008D+01 -0.303147D+01 -0.522371D+01
                16            17            18            19            20 
      1   0.395752D+01  0.764377D+00  0.702100D+00 -0.303685D+01 -0.196188D+01
      2  -0.319743D+01 -0.784655D+01  0.897009D+01  0.601012D+01  0.572586D+01
      3   0.430547D+01 -0.388584D+01  0.388871D+01 -0.388500D+01 -0.678904D+01
                21            22            23            24            25 
      1   0.699210D+01 -0.279663D+01 -0.273111D+01 -0.511021D+01  0.812997D+01
      2  -0.354607D+01  0.492474D+01 -0.402121D+01 -0.151707D+01 -0.886625D+01
      3  -0.268970D+01 -0.963411D+00  0.937403D+01  0.681974D+01 -0.188463D+01
                26            27            28            29            30 
      1   0.117664D+00  0.575444D+01  0.417427D+01  0.434959D+01 -0.679353D+01
      2  -0.265510D+01 -0.199417D+01  0.109954D+01  0.427926D+01  0.524678D+00
      3   0.598494D+01 -0.547471D+01  0.411425D+01 -0.799842D+01 -0.845368D+01
                31            32            33            34            35 
      1   0.469256D+01 -0.217605D+01  0.322078D+01 -0.792839D+01  0.900272D+01
      2   0.367251D+01  0.733805D+00  0.440303D+01 -0.385277D+01  0.553873D+01
      3  -0.177254D+01 -0.650617D+01 -0.542654D+01 -0.784748D+01 -0.508531D+01
                36            37            38            39            40 
      1  -0.200171D+01 -0.224491D+01 -0.881103D+01 -0.372571D+01 -0.966097D+01
      2  -0.182614D+01 -0.673696D+00 -0.423192D+01  0.108555D+02 -0.319939D+01
      3   0.238871D+01  0.623336D+00 -0.175314D+00  0.647510D+01  0.431357D+01
                41            42            43            44            45 
      1   0.668956D+01 -0.500732D+01 -0.417757D+01  0.103857D+01 -0.446255D+01
      2   0.583206D+01  0.452508D+01  0.499121D+01  0.497660D+01 -0.516629D+01
      3   0.174095D+00  0.382802D+01  0.544663D+01  0.297991D+01 -0.797931D+00
                46            47            48            49            50 
      1  -0.292467D+00  0.983412D+00  0.149508D+00 -0.390314D+00 -0.217456D+01
      2  -0.275785D+01  0.161657D+01 -0.214530D+01  0.274438D+01 -0.224758D+01
      3  -0.139995D+01 -0.675386D-01 -0.132656D+01  0.148446D+01 -0.193129D+01
                51            52            53            54            55 
      1  -0.260562D+00 -0.408324D+00  0.421084D+01  0.751798D+00  0.238361D+01
      2   0.428127D+01 -0.518691D+01  0.404821D+01 -0.947474D+01  0.246755D+01
      3   0.261840D+01 -0.226285D+01  0.288595D+01 -0.364968D+01  0.254310D+01
                56            57            58            59            60 
      1  -0.370320D+01 -0.743443D+00 -0.330030D+01  0.666709D+01 -0.986439D-01
      2  -0.501344D+00  0.176009D+01 -0.210349D+01  0.882118D+00 -0.206928D+01
      3  -0.560330D+01 -0.186892D+01 -0.214249D+01  0.867940D+01  0.242113D+01
                61            62            63            64            65 
      1  -0.150806D+01  0.280994D+01  0.903053D+00 -0.303571D+01 -0.290086D+01
      2  -0.935108D+00  0.122301D+00 -0.157127D+01  0.596633D+01  0.389538D+01
      3  -0.139408D+01  0.262408D+01  0.140304D+01 -0.361949D+00 -0.478805D+01
                66            67            68            69            70 
      1  -0.245395D+01 -0.309406D+01 -0.297020D+01 -0.301053D+01 -0.153350D+01
      2   0.463179D+01  0.404999D+01  0.356996D+01  0.420196D+01  0.201794D+01
      3  -0.871138D+00 -0.600280D+00 -0.416402D+01 -0.458038D+00 -0.909810D-01
                71            72            73            74            75 
      1  -0.744337D+00 -0.222304D+01 -0.192449D+01  0.196629D+01 -0.321579D+01
      2   0.264115D+01  0.316671D+01 -0.829970D+00 -0.622757D+00  0.291706D+01
      3  -0.209233D+01 -0.111563D+01  0.233721D+01 -0.207135D+01  0.253082D+01
                76            77            78            79            80 
      1   0.128987D+01 -0.305643D+01  0.224871D+01 -0.346339D+01  0.545033D+01
      2   0.646694D+00  0.118753D+01 -0.207880D+01 -0.126491D+01 -0.851964D+00
      3  -0.382697D+00  0.199288D+01 -0.246897D+01  0.263225D+01 -0.385656D+01
                81            82            83            84            85 
      1  -0.712819D+01  0.372690D+01  0.120842D+01 -0.396845D+01  0.169128D+01
      2   0.592070D+01 -0.609052D+01 -0.237880D+01  0.687372D+01 -0.201221D+01
      3   0.432696D+01  0.503550D+01 -0.214031D+01 -0.133681D+01  0.153699D+01
                86            87            88            89            90 
      1   0.121340D+01 -0.177061D+01 -0.307173D+01  0.715326D-01  0.328207D+01
      2  -0.122641D+01  0.165384D+01  0.331840D+01  0.139813D+01 -0.538752D+01
      3  -0.107515D+01 -0.483096D+00 -0.263357D+01  0.144119D+01  0.168136D+01
                91            92            93            94            95 
      1   0.825527D+00 -0.143972D+01  0.108370D+01 -0.520379D+00  0.427821D+01
      2   0.164198D+01 -0.199161D+01  0.201621D+00 -0.293254D+01  0.351769D+01
      3  -0.390206D+01  0.318694D+01  0.117147D+01  0.657286D+01 -0.913020D+01
                96            97            98            99           100 
      1  -0.297314D+01 -0.550928D+00  0.125426D+01 -0.120506D+01  0.188209D+01
      2   0.178615D+01 -0.125666D+01  0.180048D+01  0.126534D+01  0.823176D+00
      3  -0.298831D+01  0.166859D+01 -0.279908D+01 -0.126880D+01 -0.226488D+01
               101           102           103           104           105 
      1  -0.174389D+01  0.386948D+01 -0.226766D+01  0.301882D+01 -0.553261D+01
      2  -0.151144D+01  0.312723D+01 -0.776682D+00  0.195262D+01 -0.287830D+01
      3  -0.311300D+00 -0.351767D+00  0.253544D+01  0.138028D+01  0.325980D+00
               106           107           108           109           110 
      1   0.329392D+01 -0.237637D+01  0.893206D+01 -0.123105D+01  0.627437D-01
      2   0.610357D-01 -0.249546D+01  0.543235D+01 -0.291013D+01 -0.185945D+01
      3  -0.265124D+01 -0.112694D+01 -0.800887D+00  0.617476D+01  0.331475D+01
               111           112           113           114           115 
      1  -0.261537D+01 -0.893625D+00  0.167744D+00 -0.412714D+01 -0.415727D+00
      2  -0.186087D+00 -0.254433D+01 -0.234721D+01 -0.135874D+01 -0.257185D+01
      3   0.308478D+01  0.630546D+01  0.576369D+01  0.323135D+01  0.420743D+01
               116           117           118           119           120 
      1  -0.433409D+00 -0.281748D+01 -0.426116D+01 -0.209973D+01  0.467052D+01
      2  -0.193615D+01 -0.117413D+01  0.116751D+01 -0.363971D+00  0.352028D+01
      3   0.300615D+01  0.237194D+01 -0.756718D+01 -0.291330D+01  0.461140D+01
               121           122           123           124           125 
      1  -0.916864D+00 -0.124990D+01 -0.102916D+00  0.402537D+01  0.184402D+01
      2   0.119741D+00 -0.240799D+00  0.376546D+00 -0.103976D+01 -0.409921D+00
      3  -0.353916D+00 -0.140507D+01  0.115552D+01  0.525661D+01  0.253399D+01
               126           127           128           129           130 
      1  -0.443561D+01 -0.256981D+01  0.478587D+01  0.204738D+01  0.449381D+01
      2  -0.270802D+01 -0.288466D+01  0.306363D+01  0.137945D+01  0.376057D+01
      3  -0.363273D+01 -0.156991D+01 -0.181642D+01 -0.512001D+00  0.273775D+01
               131           132           133           134           135 
      1  -0.935663D+01 -0.393420D+01  0.998332D+00 -0.103426D+01 -0.190484D+01
      2  -0.429367D+01 -0.246916D+01 -0.233840D+00 -0.122651D+01 -0.103196D+01
      3   0.302214D+01 -0.211445D+00  0.355376D+00  0.425174D+00  0.231061D+00
               136           137           138           139           140 
      1   0.703241D+00 -0.216554D+01 -0.152458D+01  0.234107D+00 -0.141058D+01
      2   0.814141D+01  0.191116D+01 -0.381762D+01  0.220537D+01  0.108276D+01
      3   0.383164D+01 -0.566885D+00 -0.261182D+01  0.178827D+01  0.604121D+00
               141           142           143           144           145 
      1  -0.356620D+00 -0.404573D+00  0.289784D+01  0.244117D+01  0.380949D+01
      2  -0.180387D+01 -0.727078D+01 -0.213182D+01  0.525834D+01 -0.474996D+01
      3  -0.129692D+01 -0.310062D+01 -0.536649D+00  0.254582D+01 -0.284182D+01
               146           147           148           149           150 
      1   0.503568D+01  0.272372D+01  0.366377D+01  0.489277D+01  0.178370D+01
      2  -0.126668D+01 -0.123783D+00 -0.315425D+01 -0.183228D+01  0.335130D+00
      3  -0.435371D+01 -0.252557D+01 -0.135096D+01 -0.373486D+01 -0.184012D+01
               151           152           153 
      1   0.304255D+01  0.419095D+01  0.341806D+01
      2  -0.377643D+01 -0.965547D+00  0.314632D+00
      3  -0.200968D+01 -0.250177D+01 -0.208946D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.445614D+01 -0.272216D+01  0.248162D+01 -0.272375D+01 -0.184458D+01
      2  -0.185277D+01  0.290623D+01 -0.116438D+01  0.290671D+01  0.192360D+01
      3  -0.260337D+01 -0.184068D+00 -0.131724D+01 -0.182962D+00 -0.790185D-01
      4  -0.273232D+01 -0.188495D+01 -0.773352D+00 -0.188433D+01  0.291151D+01
      5   0.247392D+01 -0.775838D+00 -0.264149D+01 -0.772340D+00 -0.117014D+01
      6  -0.773551D+00 -0.116416D+01 -0.195750D+00 -0.116609D+01 -0.343224D+01
                 6             7             8             9            10 
      1  -0.768786D+00  0.248851D+01 -0.761875D+00 -0.261524D+01 -0.518027D+01
      2  -0.342371D+01 -0.116149D+01 -0.342133D+01 -0.707063D-01 -0.389018D+01
      3   0.419249D+01 -0.132702D+01  0.418320D+01  0.268594D+01  0.907045D+01
      4  -0.116676D+01 -0.769602D+00 -0.116532D+01 -0.195241D+00 -0.144263D+01
      5  -0.190836D+00 -0.264434D+01 -0.188706D+00 -0.132167D+01 -0.564242D+01
      6  -0.104464D+00 -0.196666D+00 -0.104446D+00  0.418784D+01 -0.405589D+01
                11            12            13            14            15 
      1  -0.431181D+01 -0.186141D+01 -0.446887D+01 -0.819851D+01 -0.138786D+02
      2  -0.613196D+01  0.338158D+01 -0.500318D+01  0.516642D+01  0.147072D+01
      3   0.104438D+02 -0.152016D+01  0.947205D+01  0.303209D+01  0.124079D+02
      4  -0.122507D+02 -0.968285D+01 -0.133228D+02  0.252196D+01  0.172510D+01
      5  -0.837453D+01  0.589785D+01 -0.934663D+01  0.645747D+01  0.296859D+01
      6   0.417734D+01  0.859791D+01  0.477335D+01 -0.389039D+01 -0.671066D+01
                16            17            18            19            20 
      1  -0.238231D+01 -0.141559D+02  0.135325D+02 -0.819778D+01 -0.894581D+01
      2   0.274658D+01  0.222488D+01 -0.144981D+01  0.247551D+01  0.637283D+01
      3  -0.364275D+00  0.119310D+02 -0.120827D+02  0.572227D+01  0.257299D+01
      4  -0.109373D+02  0.493260D+00 -0.968527D+00 -0.388777D+01  0.154124D+01
      5   0.609653D+01  0.222099D+01 -0.110223D+01  0.518314D+01  0.695977D+01
      6   0.687826D+01 -0.670899D+01  0.787236D+01  0.645737D+01  0.106416D+02
                21            22            23            24            25 
      1   0.526631D+01 -0.889212D+01  0.135657D+02  0.898815D+01  0.609239D+01
      2   0.871615D+01  0.494817D+01 -0.137320D+02 -0.109364D+02  0.771170D+01
      3  -0.139825D+02  0.394395D+01  0.166256D+00  0.194825D+01 -0.138041D+02
      4   0.105886D+02  0.255291D+01  0.344528D+01  0.456819D+01  0.115945D+02
      5  -0.585937D+01  0.720628D+01  0.405809D+01  0.797166D+01 -0.717328D+01
      6   0.425964D-01  0.937765D+01 -0.737254D+01 -0.153939D+01 -0.177120D-01
                26            27            28            29            30 
      1   0.975016D+01 -0.532260D+01 -0.288782D+01  0.697144D+01  0.107769D+02
      2  -0.109037D+02  0.112841D+02  0.486102D+01 -0.900108D+01 -0.166362D+02
      3   0.115355D+01 -0.596149D+01 -0.197320D+01  0.202964D+01  0.585930D+01
      4   0.482576D+01  0.676246D+00  0.217025D+01 -0.707333D+00 -0.218574D+01
      5   0.653716D+01 -0.907199D+01  0.655921D+01  0.280961D+01 -0.101537D+02
      6  -0.712310D+00  0.108772D+01 -0.523481D+01 -0.131765D+02  0.431105D+01
                31            32            33            34            35 
      1   0.686654D+01  0.514551D+01  0.585772D+01  0.113213D+02  0.480752D+01
      2  -0.829934D+01 -0.198670D+01 -0.445807D+00 -0.164514D+02 -0.390670D+00
      3   0.143279D+01 -0.315882D+01 -0.541192D+01  0.513007D+01 -0.441685D+01
      4  -0.561353D-01 -0.102463D+02 -0.111238D+02 -0.143780D+01 -0.121198D+02
      5   0.460593D+01 -0.665917D+01  0.852104D+00 -0.103786D+02  0.223136D+01
      6  -0.119966D+02  0.217169D+01 -0.856903D+01  0.509015D+01 -0.933480D+01
                36            37            38            39            40 
      1  -0.232597D+01  0.316082D+01  0.159962D+01 -0.987379D+01  0.181355D+01
      2  -0.264585D+01  0.375807D+01  0.138142D+02  0.251635D+01  0.134056D+02
      3   0.497181D+01 -0.691888D+01 -0.154139D+02  0.735744D+01 -0.152191D+02
      4   0.784321D+01 -0.152718D+01 -0.743801D+01 -0.428356D-01 -0.802555D+01
      5   0.328951D-01 -0.180034D+01 -0.272216D+01 -0.100453D+02 -0.379646D+01
      6   0.319821D+01  0.150950D+01 -0.366208D+01 -0.132863D+02 -0.416443D+01
                41            42            43            44            45 
      1  -0.330720D+01 -0.231734D+01 -0.107358D+02 -0.176006D+01  0.366535D-01
      2  -0.694995D+01  0.401293D+01  0.397070D+01  0.317764D+01  0.309560D+01
      3   0.102571D+02 -0.169560D+01  0.676509D+01 -0.141758D+01 -0.313225D+01
      4   0.931836D+01  0.281951D+01 -0.554251D+00  0.478055D+01 -0.787719D+01
      5  -0.585354D+01 -0.121415D+02 -0.869372D+01 -0.113298D+02  0.785207D+01
      6   0.319432D+01  0.104749D+01 -0.122867D+02  0.974428D+00 -0.490757D+01
                46            47            48            49            50 
      1  -0.136125D+01  0.325566D+01 -0.568757D+01  0.291447D+01 -0.576886D+01
      2  -0.509419D+00 -0.111292D+01 -0.164312D+01 -0.906628D+00  0.249509D+01
      3   0.187066D+01 -0.214275D+01  0.733069D+01 -0.200784D+01  0.327378D+01
      4  -0.843079D+00  0.220067D+01 -0.222438D+00  0.380752D+01  0.226084D+01
      5   0.305266D+01 -0.742591D+00  0.295266D+01 -0.181217D+01 -0.261473D+01
      6  -0.178575D+01  0.303480D+01 -0.387989D+01  0.149509D+00 -0.862977D+01
                51            52            53            54            55 
      1   0.939276D+01 -0.438337D+01  0.904777D+01 -0.196814D+02  0.128628D+02
      2   0.311366D+00  0.132669D+01 -0.554077D+00 -0.103125D+02 -0.728557D+01
      3  -0.970413D+01  0.305668D+01 -0.849369D+01  0.299939D+02 -0.557728D+01
      4  -0.275194D+01 -0.857031D+00 -0.353988D+01  0.356545D+01 -0.764494D+01
      5   0.366393D+01  0.588840D+01  0.300092D+01 -0.913396D+01 -0.948280D+01
      6   0.114306D+02 -0.121062D+01  0.117316D+02 -0.151423D+02  0.458284D+01
                56            57            58            59            60 
      1  -0.553380D+01 -0.280992D+01 -0.915310D+01  0.274992D+01  0.118277D+01
      2   0.437241D+01  0.396221D+01  0.601997D+01  0.104868D+01 -0.399561D+01
      3   0.116139D+01 -0.115229D+01  0.313312D+01 -0.379860D+01  0.281284D+01
      4   0.104846D+02  0.395707D+01  0.119359D+02 -0.152758D+02 -0.487496D+01
      5   0.649785D+01  0.718009D+01  0.100602D+02 -0.731490D+01 -0.886511D+01
      6  -0.531732D+01 -0.346175D+01 -0.616313D+01  0.117632D+02  0.743372D+01
                61            62            63            64            65 
      1  -0.212920D+01  0.177584D+01 -0.133142D+01  0.220275D+02  0.865223D+01
      2   0.365072D+01 -0.273235D+01 -0.370981D+01 -0.623391D+01  0.124297D+01
      3  -0.152153D+01  0.956510D+00  0.504123D+01 -0.157936D+02 -0.989520D+01
      4   0.355586D+01 -0.353225D+01 -0.330710D+01  0.145948D+02  0.135075D+02
      5   0.674982D+01 -0.521541D+01 -0.656916D+01 -0.202356D+01 -0.104209D+00
      6  -0.362718D+01  0.639622D+01  0.289157D+01 -0.159797D+01 -0.293311D+01
                66            67            68            69            70 
      1   0.384679D+01  0.108153D+02  0.465696D+01  0.306593D+01  0.803203D+01
      2   0.135057D-01  0.346633D+00  0.586365D+01  0.175488D+01 -0.209353D+01
      3  -0.386029D+01 -0.111620D+02 -0.105206D+02 -0.482082D+01 -0.593850D+01
      4   0.320051D+01  0.145586D+02  0.136336D+02  0.202944D+01  0.612437D+01
      5   0.494312D+01 -0.951981D+00 -0.106572D+01  0.385163D+01  0.335698D+01
      6   0.577868D+00 -0.257787D+01 -0.190019D+01  0.357124D+01  0.531493D+00
                71            72            73            74            75 
      1   0.306018D+01  0.112530D+01  0.732740D+01 -0.516122D+00  0.308355D+01
      2   0.230350D+01 -0.215609D+00 -0.786315D+01  0.162212D+01 -0.857007D+01
      3  -0.536368D+01 -0.909688D+00  0.535755D+00 -0.110599D+01  0.548653D+01
      4   0.540056D+01  0.339318D+01  0.150609D+01  0.307071D+01 -0.495250D+00
      5   0.247991D+01  0.450427D+01  0.954654D+01 -0.260397D+01  0.124833D+02
      6   0.221034D+01  0.122762D+01  0.339089D+00  0.421592D+00  0.220552D+01
                76            77            78            79            80 
      1  -0.262382D+01 -0.154589D+01 -0.259909D+00  0.420257D+01 -0.178537D+01
      2   0.338470D+01 -0.618031D+00  0.693235D+01 -0.998397D+01  0.574873D+01
      3  -0.760884D+00  0.216392D+01 -0.667244D+01  0.578140D+01 -0.396336D+01
      4   0.204735D+01 -0.361121D+01  0.261514D+01  0.478122D+00  0.397011D+01
      5  -0.566317D+01  0.293574D+01 -0.664955D+01  0.144728D+02 -0.300275D+01
      6   0.535114D+00 -0.255546D+01  0.331426D+01  0.222847D+01  0.519712D+01
                81            82            83            84            85 
      1  -0.332827D+01  0.254129D+02  0.539141D+01 -0.752911D+01  0.430915D+01
      2  -0.185084D+02 -0.794771D+01  0.167711D+01  0.540745D+00  0.149459D+01
      3   0.218366D+02 -0.174651D+02 -0.706852D+01  0.698837D+01 -0.580374D+01
      4   0.491713D-01  0.167739D+02  0.107631D+02 -0.558547D+01  0.899292D+01
      5   0.205054D+02 -0.374587D+01 -0.134600D+01  0.767504D+01 -0.108541D+01
      6   0.437842D+01 -0.371129D+01 -0.191436D+01  0.463839D+01 -0.231069D+01
                86            87            88            89            90 
      1   0.589058D+00 -0.184801D+01 -0.116287D+02 -0.184626D+01  0.458067D+01
      2   0.443502D+01 -0.141154D+00  0.265867D+01 -0.187075D+01 -0.311953D+01
      3  -0.502408D+01  0.198916D+01  0.897006D+01  0.371702D+01 -0.146115D+01
      4   0.629741D+01 -0.374597D+01 -0.909264D+01 -0.706506D+01  0.428012D+01
      5  -0.169349D+01  0.593583D+00  0.706283D+01  0.143445D+01 -0.673373D+01
      6  -0.229427D+00  0.318881D+01  0.415057D+01  0.306122D+01 -0.567020D+01
                91            92            93            94            95 
      1  -0.155988D+01  0.804915D+01  0.245066D+01  0.635278D+01 -0.215467D+02
      2   0.336070D+01 -0.102131D+02 -0.186452D+01 -0.571910D+01  0.317023D+02
      3  -0.180082D+01  0.216391D+01 -0.586138D+00 -0.633673D+00 -0.101555D+02
      4  -0.395636D+01  0.388859D+01  0.216135D+00  0.600427D+01  0.431871D+01
      5  -0.305052D+01  0.165108D+01  0.202776D+01  0.253186D+01 -0.265883D+00
      6   0.201268D+01 -0.609188D+01 -0.463711D+01 -0.294174D+01  0.171555D+02
                96            97            98            99           100 
      1  -0.789016D+01  0.116145D+01 -0.702911D+01 -0.464914D+01  0.460587D+01
      2   0.660226D+01 -0.169488D+01  0.608660D+01  0.169083D+01  0.139161D+00
      3   0.128790D+01  0.533422D+00  0.942505D+00  0.295831D+01 -0.474503D+01
      4   0.113882D+01  0.174166D+00  0.110802D+01  0.305688D+00 -0.851856D+01
      5   0.634262D+00  0.306579D+01 -0.190110D+00  0.152696D+01  0.326237D+01
      6   0.112178D+02 -0.169536D+01  0.982579D+01  0.652770D+01 -0.334419D+01
               101           102           103           104           105 
      1  -0.145549D+01  0.952413D+00 -0.129268D+01 -0.546689D+01  0.144688D+01
      2  -0.340140D+01  0.252055D+01 -0.325142D+01  0.133670D+02 -0.609628D+01
      3   0.485689D+01 -0.347296D+01  0.454410D+01 -0.790012D+01  0.464940D+01
      4   0.851843D+01 -0.508845D+01  0.791392D+01 -0.872272D+01  0.654523D+01
      5  -0.292671D+01  0.666126D+01 -0.252849D+01  0.395240D+01 -0.361514D+01
      6   0.447354D+01 -0.526882D+01  0.449791D+01 -0.738905D+01  0.967825D+01
               106           107           108           109           110 
      1   0.241547D+01  0.379610D+01 -0.258972D+01 -0.210649D+01 -0.859516D+01
      2   0.221602D+01 -0.103906D+02  0.256484D+01  0.370627D+01  0.130116D+02
      3  -0.463150D+01  0.659445D+01  0.248781D-01 -0.159978D+01 -0.441646D+01
      4  -0.868170D+01  0.997969D+01 -0.736783D+01  0.890809D+01  0.708885D+01
      5   0.715130D+01 -0.467814D+01  0.913026D+01  0.298662D+01  0.171615D+01
      6  -0.586642D+01  0.112106D+02 -0.152892D+02  0.492738D+01  0.824194D+01
               111           112           113           114           115 
      1  -0.538189D+01 -0.606296D+01 -0.154473D+02 -0.767014D+01 -0.453779D+01
      2   0.385354D+01  0.768231D+01  0.234435D+02  0.712596D+01  0.368676D+01
      3   0.152835D+01 -0.161935D+01 -0.799622D+01  0.544184D+00  0.851023D+00
      4   0.370116D+01  0.730065D+01  0.463269D+01  0.281746D+01  0.422367D+01
      5   0.358299D+01  0.131503D+01  0.142579D+01 -0.910185D-02  0.420885D+01
      6   0.675850D+01  0.531147D+01  0.123900D+02  0.108843D+02  0.339832D+01
               116           117           118           119           120 
      1  -0.852397D+01 -0.675945D+01  0.182539D+02  0.538462D+00 -0.684429D+01
      2   0.861932D+01  0.362396D+01 -0.130888D+02 -0.274539D+01  0.954768D+01
      3  -0.953475D-01  0.313550D+01 -0.516508D+01  0.220693D+01 -0.270340D+01
      4   0.262762D+01  0.133447D+01 -0.115554D+02  0.655782D+01  0.604580D+01
      5   0.396817D+00  0.112406D+01 -0.152793D+02  0.961203D+00  0.132606D+02
      6   0.115985D+02  0.957026D+01  0.640896D+01 -0.190804D+01 -0.682122D+01
               121           122           123           124           125 
      1   0.278219D+01  0.557729D+00 -0.119017D+01 -0.817313D+01 -0.177719D+01
      2  -0.302018D+01 -0.437513D+00  0.297030D+01  0.985237D+01  0.312271D+01
      3   0.237989D+00 -0.120216D+00 -0.178013D+01 -0.167924D+01 -0.134552D+01
      4   0.338222D+01  0.102931D+01 -0.116072D+01  0.716508D+01 -0.281918D+01
      5  -0.189557D+01 -0.174670D+01  0.162030D+01  0.133072D+02 -0.134295D+01
      6  -0.748097D+00 -0.155154D+00  0.282601D+01 -0.596001D+01  0.521423D+01
               126           127           128           129           130 
      1   0.164582D+01  0.496724D+01 -0.173457D+01 -0.359174D+00 -0.270361D+01
      2  -0.840881D+01  0.135412D+01 -0.734392D+01 -0.121457D+01 -0.669093D+01
      3   0.676299D+01 -0.632135D+01  0.907848D+01  0.157374D+01  0.939454D+01
      4  -0.573513D+01 -0.100272D+02  0.122863D+02 -0.469420D+00  0.131120D+02
      5  -0.126148D+02  0.464313D+01 -0.356899D+01  0.453461D+01 -0.481120D+01
      6   0.681290D+01 -0.386347D+01  0.621905D+01 -0.149134D+01  0.584152D+01
               131           132           133           134           135 
      1  -0.618212D+01  0.270526D+01 -0.113349D+01  0.357588D+00 -0.600914D+00
      2   0.227394D+02  0.135422D+01 -0.918262D+00  0.396693D+01  0.131318D+01
      3  -0.165573D+02 -0.405948D+01  0.205175D+01 -0.432452D+01 -0.712262D+00
      4  -0.173424D+02  0.622572D+00  0.227915D+01 -0.246911D+01 -0.152502D+01
      5   0.549090D+01 -0.237160D+01  0.248987D+01 -0.918992D+00 -0.122864D+01
      6  -0.129266D+02  0.650908D+01 -0.500632D+00  0.321002D+01  0.104577D+01
               136           137           138           139           140 
      1  -0.182357D+01 -0.358549D+01  0.904816D+01 -0.241013D+01 -0.346610D+01
      2  -0.408565D+01  0.672510D+00  0.550576D+01 -0.376599D+00  0.247504D+01
      3   0.590922D+01  0.291298D+01 -0.145539D+02  0.278673D+01  0.991061D+00
      4   0.625410D+01  0.438400D+01 -0.380102D+01  0.434432D+01  0.703665D+00
      5  -0.123927D+02 -0.272395D+01  0.107818D+02 -0.198956D+01 -0.181065D+01
      6  -0.478317D+01 -0.684691D+01  0.884875D+01 -0.344729D+01 -0.582831D+01
               141           142           143           144           145 
      1   0.468745D+01  0.673093D+01  0.503606D+01 -0.137045D+02  0.978027D+01
      2  -0.968159D+00  0.253789D+01 -0.791921D+00 -0.935267D+01 -0.117666D+02
      3  -0.371929D+01 -0.926882D+01 -0.424414D+01  0.230572D+02  0.198629D+01
      4  -0.213280D+01 -0.349671D+01 -0.185795D+01  0.370092D+01  0.192768D+01
      5   0.280442D+01  0.101184D+02  0.304339D+01 -0.819383D+01  0.157102D+02
      6   0.769357D+01  0.576201D+01  0.811762D+01 -0.108501D+02  0.291228D+01
               146           147           148           149           150 
      1   0.294174D+01  0.244111D+01  0.447736D+01  0.640973D+00 -0.150336D+01
      2  -0.574195D+01 -0.946537D+01 -0.692196D+01 -0.119890D+01 -0.652880D+01
      3   0.280021D+01  0.702426D+01  0.244461D+01  0.557928D+00  0.803215D+01
      4   0.529148D+01  0.636894D+00  0.463948D+01  0.412451D+01  0.207575D+01
      5   0.529258D+01  0.140216D+02  0.893365D+01  0.587455D+01  0.888238D+01
      6   0.580450D+01  0.306155D+01  0.502968D+01  0.763370D+01  0.543130D+01
               151           152           153 
      1   0.265894D+01  0.896847D-02 -0.288089D+01
      2  -0.805477D+01 -0.419449D+01 -0.106474D+02
      3   0.539583D+01  0.418552D+01  0.135283D+02
      4   0.232107D+00  0.138301D+01  0.182758D+01
      5   0.122245D+02  0.552139D+01  0.112943D+02
      6   0.332155D+01  0.541537D+01  0.305823D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.000000D+00      0.000000D+00      0.000000D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.633544D+02      0.938816D+01      0.104457D+02
   aniso      0.874521D-03      0.129591D-03      0.144189D-03
   xx         0.633546D+02      0.938818D+01      0.104458D+02
   yx         0.121158D-03      0.179538D-04      0.199763D-04
   yy         0.633541D+02      0.938811D+01      0.104457D+02
   zx         0.333036D-03      0.493509D-04      0.549102D-04
   zy        -0.264101D-03     -0.391358D-04     -0.435445D-04
   zz         0.633545D+02      0.938818D+01      0.104458D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.673029D+02      0.997326D+01      0.110967D+02
   aniso      0.174310D-02      0.258301D-03      0.287399D-03
   xx         0.673033D+02      0.997332D+01      0.110968D+02
   yx        -0.523846D-03     -0.776259D-04     -0.863705D-04
   yy         0.673024D+02      0.997319D+01      0.110967D+02
   zx         0.271822D-03      0.402799D-04      0.448174D-04
   zy        -0.694870D-03     -0.102969D-03     -0.114569D-03
   zz         0.673028D+02      0.997325D+01      0.110967D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.00006055         -0.00007651         -0.00001353
     6          0.26199261         -1.77261302          2.27711131
     6         -2.54545341          1.37771086          0.13617659
     6          0.13192763         -1.54554822         -2.44740815
     6          2.15152905          1.94045127          0.03412950
     1         -1.25041333         -3.17768898          2.29985288
     1          0.17452138         -0.71848896          4.05005430
     1          2.06294513         -2.78069272          2.22733027
     1         -4.11526103          0.03703414          0.11598671
     1         -2.78261757          2.65548457         -1.46793632
     1         -2.69011409          2.49703050          1.86485566
     1         -1.38323258         -2.94587514         -2.52154318
     1          1.93017178         -2.54907311         -2.59353793
     1         -0.04999622         -0.32654106         -4.10361463
     1          2.10266957          3.07012065          1.76144194
     1          2.01060411          3.23088340         -1.57120858
     1          3.99110567          1.00827617         -0.06164621

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.000000D+00      0.000000D+00      0.000000D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.633544D+02      0.938816D+01      0.104457D+02
   aniso      0.874521D-03      0.129591D-03      0.144189D-03
   xx         0.633548D+02      0.938821D+01      0.104458D+02
   yx         0.188283D-03      0.279007D-04      0.310437D-04
   yy         0.633544D+02      0.938816D+01      0.104457D+02
   zx         0.194597D-03      0.288364D-04      0.320848D-04
   zy        -0.158742D-03     -0.235231D-04     -0.261730D-04
   zz         0.633540D+02      0.938810D+01      0.104457D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.673029D+02      0.997326D+01      0.110967D+02
   aniso      0.174310D-02      0.258301D-03      0.287399D-03
   xx         0.673029D+02      0.997327D+01      0.110968D+02
   yx         0.750504D-03      0.111213D-03      0.123741D-03
   yy         0.673029D+02      0.997325D+01      0.110967D+02
   zx         0.666847D-03      0.988165D-04      0.109948D-03
   zy        -0.130188D-04     -0.192918D-05     -0.214651D-05
   zz         0.673028D+02      0.997325D+01      0.110967D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-V09-27\Freq\RLC-PBEPBE\Gen\C5H12\PIERPA\27-Jan-2022\0\\#P
  LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Tight) Po
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 545492\Quadrupole=-0.0000654,0.0000364,0.000029,0.0000017,0.0000088,-0
 .0000159\PG=C01 [X(C5H12)]\NImag=0\\0.48647198,-0.00016835,0.48644060,
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 THE SECRET OF SUCCESS IN LIFE IS TO EAT WHAT YOU LIKE, AND LET THE FOOD
 FIGHT IT OUT INSIDE YOU. -- FROM A FORTUNE COOKIE
 Job cpu time:       0 days  1 hours 14 minutes 30.2 seconds.
 Elapsed time:       0 days  0 hours  9 minutes 20.4 seconds.
 File lengths (MBytes):  RWF=    126 Int=      0 D2E=      0 Chk=      5 Scr=      1
 Normal termination of Gaussian 16 at Thu Jan 27 11:59:48 2022.
